data_2lkh_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 2lkh _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.775 0.321 . . . . 73.32 110.842 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.15 -47.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 71.34 111.088 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 21.1 mmt -80.13 -44.49 19.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 74.32 110.916 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.8 t -90.28 -18.95 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 74.25 111.124 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.43 -28.5 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 73.34 111.138 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -78.43 -18.03 55.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 74.2 110.846 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.98 -34.52 38.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.839 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.6 mt -55.94 -25.33 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 63.43 111.138 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.5 tp -56.18 -36.26 68.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 74.3 110.969 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -61.39 -18.79 60.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 74.53 110.872 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.0 t -76.96 -39.22 51.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 74.31 110.846 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.19 -28.19 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 74.35 111.094 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.86 -19.02 45.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 75.24 110.893 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -69.21 -54.93 12.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 74.21 110.867 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -34.43 78.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 71.14 110.944 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.9 mt -52.92 -32.82 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 74.24 111.134 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.5 m -80.76 -28.64 36.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 74.02 110.866 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -76.08 -58.98 2.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.915 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.0 tt -59.36 -26.56 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 64.02 111.128 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.23 -38.88 95.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 53.42 112.466 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.8 t -91.4 -23.65 19.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 74.04 111.152 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.02 -32.13 66.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.895 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 t -74.07 -34.25 63.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 63.33 110.866 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.7 t -62.09 -20.46 24.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 75.54 111.17 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -86.14 -59.21 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.87 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.98 -21.84 33.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 73.13 111.108 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.25 -38.74 24.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 75.12 112.495 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.44 -23.91 23.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 74.41 110.873 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -76.75 -39.5 51.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 74.34 110.932 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mp -73.69 -40.64 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 75.2 111.095 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -65.09 -58.96 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 71.12 110.918 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 mp -50.72 -36.07 34.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 75.42 110.936 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.2 m -58.22 -38.16 76.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 73.23 110.869 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -83.23 -39.6 20.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.901 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -179.61 -34.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 72.2 110.883 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.87 9.74 75.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 44.3 112.473 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.17 151.49 7.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.807 -0.711 . . . . 60.44 112.505 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 156.99 147.17 4.69 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 74.53 112.473 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -76.97 -78.58 0.73 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.795 -0.717 . . . . 64.04 112.476 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.28 172.22 0.35 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 64.11 112.486 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -90.24 -178.82 44.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.693 -0.765 . . . . 63.52 112.504 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -10.69 29.19 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.67 2.247 . . . . 72.25 112.381 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.02 -22.05 39.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 75.21 110.879 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -75.86 -31.69 59.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 73.43 110.933 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.07 -35.62 80.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 75.34 110.874 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.5 -26.16 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 74.12 111.118 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.5 t -78.96 -30.24 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 74.35 111.128 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.23 -24.76 22.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 74.34 110.91 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 t -86.54 -44.39 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 73.21 111.114 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.6 mt -75.08 -23.26 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.11 111.099 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.479 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -51.79 -60.52 5.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.605 0.717 . . . . 74.31 110.907 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.8 Cg_endo -69.74 -32.76 18.04 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.727 2.285 . . . . 74.23 112.297 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 57.8 m -64.13 -29.98 71.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 74.24 110.892 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.82 -59.26 5.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 74.55 110.912 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -55.69 -25.7 41.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 74.43 110.862 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.66 -24.87 31.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 75.21 110.867 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.95 -35.14 63.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 71.24 110.899 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.31 -23.26 67.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 74.4 110.866 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.9 mt -66.42 -34.88 78.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 72.24 110.936 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.2 p -62.79 -16.86 59.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 72.42 111.132 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.63 -14.61 29.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 50.13 112.468 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.7 tp -91.07 -11.1 39.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.894 0.378 . . . . 73.44 110.935 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -95.08 -31.82 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 73.31 111.104 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -96.52 0.98 50.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 75.43 110.911 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -124.23 -56.08 1.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 71.21 110.951 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.0 mt -114.03 72.67 2.26 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.575 0.702 . . . . 71.15 110.909 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 129.25 17.24 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.68 2.253 . . . . 64.31 112.321 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.8 m -111.4 -15.82 13.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 74.35 111.138 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -177.81 -172.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.14 110.875 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -62.96 -16.73 60.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.872 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.93 39.36 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 74.52 112.458 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.84 -53.48 55.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.89 0.376 . . . . 74.04 110.861 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.2 mmtp -80.97 -20.05 42.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 75.22 110.94 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.8 mtt -76.8 -40.19 48.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 75.51 110.872 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 t -57.21 -25.92 59.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 62.25 111.133 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -80.11 -20.03 45.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 64.52 110.896 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.8 m -73.48 -26.24 60.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 64.34 110.872 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -82.16 -20.97 36.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 74.54 110.921 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 43.3 t -87.02 -17.99 31.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 72.41 110.823 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 77.9 t -80.69 -29.98 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 52.43 111.101 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 20.4 mt -86.03 -32.93 21.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.937 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.36 -35.12 47.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 75.31 110.906 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.7 p -80.91 -20.07 42.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 71.13 110.845 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.1 tp -73.34 -47.73 40.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 70.4 110.934 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.3 t -53.63 -27.52 27.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 63.25 111.142 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -52.02 -39.13 59.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 75.23 110.904 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.6 -22.92 32.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 75.23 110.927 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.43 -23.01 43.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 73.14 110.909 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -72.75 -33.83 66.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.914 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -12.44 61.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 74.32 110.902 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.93 -24.44 4.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 75.02 111.15 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.8 m -58.19 -20.14 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 75.23 111.11 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -88.34 -16.26 33.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.878 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.7 -65.98 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.876 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -144.71 74.23 15.01 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.683 0.754 . . . . 73.52 111.152 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 144.55 54.32 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.663 2.242 . . . . 72.33 112.307 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.76 136.72 3.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 73.35 110.843 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.52 98.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 75.53 111.135 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.9 t -81.01 -11.61 59.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.32 110.85 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.7 m -84.74 -31.62 23.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 71.34 110.841 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.18 -16.96 53.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 72.43 111.076 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.53 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -56.83 -57.53 23.5 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.719 . . . . 73.13 111.154 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.8 Cg_endo -69.77 -18.97 36.64 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.666 2.244 . . . . 70.1 112.319 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.66 -54.51 7.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 70.31 110.908 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 37.8 pt -57.03 -24.23 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 75.32 111.132 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -52.93 -32.18 41.05 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 73.04 112.486 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -78.36 -28.49 47.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 75.44 110.943 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -80.92 -33.34 34.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 64.22 110.946 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 7.6 mtm -65.59 -55.25 18.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 74.21 110.837 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -27.26 69.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 75.15 110.878 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -52.03 -54.41 30.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 74.44 110.918 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 2.1 m -61.91 -31.37 71.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 73.02 111.101 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.07 -35.04 69.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 74.04 110.88 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -69.83 -43.44 71.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 73.21 110.865 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -55.32 -30.85 61.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.931 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 39.6 t -56.44 -24.62 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.504 . . . . 73.34 111.131 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -60.87 -20.19 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 73.41 110.911 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 28.0 p -52.25 -30.0 25.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.854 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.5 t -54.28 -40.59 67.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 75.41 110.848 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 1.9 mp -83.91 -40.56 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 65.22 111.089 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -31.76 62.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 74.33 110.867 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 6.9 mt -78.28 -50.54 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 74.44 111.143 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 58.6 p -59.75 -22.53 62.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 75.2 111.119 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.18 -18.42 47.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 75.31 110.857 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -84.66 -19.89 32.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 71.43 110.862 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.51 -25.58 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 73.34 111.099 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -78.17 -22.81 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 75.52 111.107 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.52 -22.91 32.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 54.52 110.913 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.17 -34.34 11.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 74.13 111.083 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -69.71 -45.73 67.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 71.04 110.879 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.55 -17.92 61.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 74.32 110.841 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.21 -33.83 14.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 74.15 110.867 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 11.4 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 71.33 110.9 -179.839 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.844 0.354 . . . . 71.44 110.899 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.51 -47.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 72.12 111.086 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -44.64 19.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 73.23 110.879 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.6 m -90.21 -19.02 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 72.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.42 -28.52 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 71.22 111.119 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.88 -21.15 61.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 72.21 110.845 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -76.96 -47.78 19.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 74.24 110.855 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.1 mt -56.07 -24.99 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 74.44 111.145 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 tt -54.04 -45.12 71.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.914 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -18.81 65.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 74.52 110.902 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.71 -40.41 48.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 72.24 110.873 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.05 -27.76 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.44 111.135 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -80.9 -18.93 45.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 73.23 110.851 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.3 -51.91 39.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 63.42 110.861 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -32.7 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.862 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.7 mt -55.22 -33.67 31.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 75.11 111.094 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -80.94 -60.93 2.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 75.34 110.936 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -51.95 -59.02 4.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 74.32 110.896 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.51 -24.46 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 75.12 111.111 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.41 -30.01 40.0 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.732 . . . . 70.44 112.478 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.4 p -92.04 -20.96 20.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 73.2 111.145 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -69.26 -34.11 74.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 71.3 110.858 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.9 m -80.18 -22.09 42.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 72.43 110.884 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.3 t -72.86 -20.5 19.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 75.1 111.089 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -86.78 -54.87 4.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.892 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.21 -21.88 25.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 73.1 111.093 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.78 -40.39 26.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 73.25 112.483 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -88.45 -19.98 25.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.91 0.386 . . . . 71.05 110.865 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -80.81 -38.72 27.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 75.13 110.961 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mp -72.87 -44.7 57.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 74.42 111.145 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.64 -58.9 6.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 62.21 110.87 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.1 mp -51.17 -36.35 40.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 75.21 110.978 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 m -58.38 -38.18 76.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 75.24 110.877 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -84.1 -39.25 19.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 72.31 110.896 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -179.43 -34.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 65.03 110.897 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.68 4.27 89.29 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 74.32 112.481 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.88 121.42 19.23 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 71.3 112.512 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.71 172.82 40.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 54.52 112.508 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -78.47 145.14 28.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 74.5 112.477 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.16 -142.32 23.38 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.808 -0.71 . . . . 73.15 112.49 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.81 -178.77 22.9 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 62.12 112.488 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -10.77 29.37 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.259 . . . . 70.52 112.348 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.73 -22.2 40.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 74.2 110.926 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -67.48 -31.21 71.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 70.14 110.9 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -60.34 -53.03 62.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 74.41 110.914 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.8 m -67.12 -31.69 54.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 74.14 111.131 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.3 t -70.92 -42.78 77.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 72.3 111.13 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.11 -24.51 40.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 73.02 110.888 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.0 t -84.02 -45.98 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 73.13 111.09 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 84.5 mt -75.77 -21.95 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 73.24 111.125 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.485 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 3.0 mt-10 -50.6 -60.28 5.72 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.631 0.729 . . . . 72.35 110.918 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.6 Cg_endo -69.74 -31.21 21.04 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.722 2.281 . . . . 73.15 112.309 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 68.1 m -64.54 -32.07 73.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 72.04 110.899 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -56.08 -59.83 4.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 65.25 110.881 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -25.51 41.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 72.31 110.926 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.12 -24.83 32.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 75.42 110.875 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 61.5 m -53.72 -32.91 53.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 63.23 110.859 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -58.2 -24.04 57.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 73.43 110.892 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.8 mt -68.27 -33.75 74.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 73.44 110.877 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.7 p -69.16 -11.3 60.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.33 111.127 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -105.27 -16.58 15.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.802 -0.713 . . . . 75.13 112.467 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.07 -9.97 43.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.826 0.346 . . . . 73.54 110.911 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t -95.01 -44.13 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 74.55 111.119 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -83.07 1.01 42.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 75.33 110.888 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -120.23 -67.62 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 73.45 110.925 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tt -124.55 74.31 62.22 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.63 0.729 . . . . 73.11 110.904 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 129.3 17.34 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.704 2.269 . . . . 75.34 112.337 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.6 m -93.01 -16.51 24.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 73.25 111.104 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -177.65 -172.91 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 75.21 110.828 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -16.84 61.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.855 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.49 39.08 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.763 -0.732 . . . . 74.54 112.541 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.65 -55.2 36.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.899 0.381 . . . . 74.12 110.914 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -81.0 -19.99 42.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 71.34 110.874 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.7 mtt -75.78 -39.0 57.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 74.43 110.848 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.3 t -59.19 -20.98 58.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 71.25 111.15 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -78.52 -22.45 47.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 64.35 110.852 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.1 t -73.99 -27.25 60.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 65.15 110.826 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -62.66 -31.64 72.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 74.04 110.914 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.99 -18.0 31.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 75.4 110.884 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.0 t -76.67 -31.97 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 74.55 111.152 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 18.4 mt -86.01 -33.58 21.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 75.02 110.938 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt -76.06 -36.67 58.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 72.41 110.898 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.6 t -80.92 -20.01 43.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 75.14 110.862 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.2 tp -75.44 -48.41 22.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 74.5 110.934 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.6 t -53.69 -27.55 28.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 73.02 111.124 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -53.24 -35.06 59.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 75.02 110.868 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -83.56 -22.98 32.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 71.41 110.91 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.7 tp -83.08 -22.91 33.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 71.45 110.916 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -79.49 -35.3 40.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 73.21 110.905 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -12.24 61.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 74.53 110.907 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.67 -24.58 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 73.33 111.13 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.0 t -57.81 -20.53 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 73.34 111.157 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -87.23 -16.76 34.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 71.31 110.897 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.06 -68.53 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 72.04 110.92 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.2 mp -135.81 74.25 58.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.684 0.754 . . . . 72.35 111.165 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 164.18 35.46 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.718 2.279 . . . . 73.02 112.369 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.8 t -142.9 -74.52 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 61.12 110.81 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.02 151.85 51.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 71.31 111.175 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.0 t -93.9 -8.07 41.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 73.51 110.888 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.17 -31.29 49.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 63.31 110.861 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.81 -16.98 54.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 61.22 111.133 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.525 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -54.63 -57.6 18.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.612 0.72 . . . . 71.01 111.137 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.4 Cg_endo -69.82 -31.36 20.41 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.63 2.22 . . . . 64.33 112.327 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.07 -60.46 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 73.25 110.93 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 11.5 tt -55.55 -25.64 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 64.55 111.113 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.77 -22.06 65.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 62.33 112.465 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.97 -33.39 26.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 75.02 110.895 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -73.62 -27.86 61.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 75.35 110.9 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 47.3 mtm -62.49 -53.2 58.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 72.14 110.857 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.1 -25.35 45.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.941 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -52.05 -30.09 24.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 53.13 110.877 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 3.7 m -85.77 -30.15 23.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 75.11 111.185 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -47.54 78.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 72.43 110.869 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -71.76 -16.99 62.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 64.11 110.898 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -67.43 -26.34 66.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 71.55 110.914 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -85.16 -22.74 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 72.13 111.149 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -53.8 -27.82 31.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.22 110.898 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -20.03 58.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 61.54 110.869 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 50.7 m -61.4 -35.18 76.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 75.23 110.86 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 1.8 mp -81.5 -51.27 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 74.43 111.127 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -30.08 23.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.927 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 23.0 mt -77.26 -43.1 31.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 72.41 111.138 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.41 -22.54 61.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 72.01 111.151 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.02 -18.67 47.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 61.55 110.889 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -83.67 -31.88 25.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 71.14 110.919 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.54 -19.52 19.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 60.13 111.115 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.7 pp -58.97 -23.22 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 74.1 111.166 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.66 -32.78 67.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 75.52 110.933 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.75 -43.69 12.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 74.32 111.159 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.86 -29.91 69.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 74.53 110.855 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -76.58 -41.28 46.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 74.33 110.825 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -52.46 -73.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 72.03 110.855 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 63.21 110.87 -179.779 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.82 0.343 . . . . 73.44 110.837 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -169.98 -47.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 74.33 111.127 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 25.4 mmt -80.09 -44.59 19.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 74.54 110.926 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.3 m -90.29 -18.92 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 73.23 111.099 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.45 -28.44 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.21 111.127 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -37.55 83.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.855 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -68.9 -24.57 64.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 71.03 110.845 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.9 mt -70.59 -25.0 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 72.43 111.118 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.5 tp -55.67 -36.98 67.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 63.22 110.923 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -65.05 -18.91 65.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 72.35 110.929 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.3 m -77.35 -39.62 46.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 71.33 110.86 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.04 -27.89 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 73.44 111.103 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -80.94 -19.0 45.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 73.54 110.866 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -69.83 -49.28 54.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 72.51 110.855 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -51.47 -45.2 62.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 71.4 110.887 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.4 mt -52.73 -37.52 25.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 74.15 111.153 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 66.4 m -81.05 -22.16 39.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 73.3 110.888 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -59.03 2.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 71.14 110.899 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pt -56.35 -24.65 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 72.24 111.167 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -71.2 -16.04 74.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.715 -0.755 . . . . 55.33 112.486 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.31 -25.13 29.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 74.33 111.165 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -83.59 -40.67 18.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 74.3 110.881 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -18.02 59.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 74.03 110.89 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.3 t -59.64 -20.51 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 73.41 111.132 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.74 -56.54 3.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 75.2 110.886 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.04 -23.42 33.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 73.51 111.086 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.72 -40.81 44.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 40.11 112.456 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.0 mmm-85 -88.77 -21.77 23.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 72.44 110.865 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 mp -78.81 -36.18 43.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 75.54 110.927 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.16 -40.13 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 74.41 111.138 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.88 -45.8 63.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 75.54 110.894 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 mp -51.85 -30.97 25.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 73.42 110.916 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.46 -35.26 54.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 61.1 110.852 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -51.02 103.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 74.52 110.895 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.92 14.17 3.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 72.2 110.873 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.7 -31.94 14.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 62.51 112.498 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -134.42 -105.75 0.88 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 70.11 112.52 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 144.93 116.8 1.08 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.676 -0.773 . . . . 73.43 112.479 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -136.02 -139.43 3.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.729 . . . . 72.03 112.522 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.64 -170.89 0.44 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.733 -0.746 . . . . 45.11 112.49 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.77 -164.98 27.06 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 74.32 112.468 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -9.99 27.5 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 72.02 112.386 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 mt -73.37 -26.1 60.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 75.44 110.948 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -32.74 70.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 74.1 110.92 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.81 -46.6 81.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 74.53 110.905 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 52.4 t -76.97 -28.13 16.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 74.51 111.114 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 t -77.3 -31.36 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 71.42 111.13 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.409 HD21 ' N ' ' A' ' 55' ' ' ASN . 1.6 m-80 -89.04 -24.86 22.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.909 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.1 t -85.72 -44.81 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 73.4 111.132 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.8 mm -75.4 -22.57 16.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 75.51 111.105 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.481 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.6 -60.51 5.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.667 0.746 . . . . 72.33 110.916 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 54.2 Cg_endo -69.77 -26.66 27.29 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.659 2.239 . . . . 75.15 112.341 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.53 -41.22 76.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 75.3 110.877 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.36 -57.92 8.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 74.33 110.928 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -55.78 -25.51 41.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 74.54 110.9 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -83.89 -24.88 30.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 75.21 110.928 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -41.2 76.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 74.24 110.865 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.61 -27.96 68.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.102 -0.499 . . . . 63.35 110.86 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.0 mt -67.85 -38.69 83.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 73.53 110.947 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.5 p -62.99 -16.25 59.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 72.33 111.133 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.02 -13.5 36.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.765 -0.731 . . . . 54.55 112.512 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.8 tp -91.02 -11.91 37.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 72.42 110.931 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -95.07 -31.85 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 73.34 111.114 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -96.33 1.07 51.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.892 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -126.85 -47.92 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 74.52 110.872 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.6 tp -117.77 68.26 6.11 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.664 0.745 . . . . 73.22 110.899 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 129.33 17.44 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.653 2.235 . . . . 72.23 112.391 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.8 m -108.9 -14.47 14.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 73.14 111.152 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -178.07 -170.81 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 74.02 110.855 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 59.6 p -63.27 -16.5 60.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 65.0 110.832 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.35 38.59 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 74.32 112.466 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.33 -70.07 0.26 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.895 0.379 . . . . 74.05 110.895 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -56.46 -28.56 59.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 75.14 110.938 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.0 mtt -72.09 -61.03 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 75.51 110.91 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 t -61.86 -26.88 68.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 72.22 111.128 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -78.08 -20.31 52.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 64.03 110.873 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.5 m -84.27 -27.62 27.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 73.53 110.856 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -65.1 -20.01 66.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 73.54 110.879 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.86 -17.93 49.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 73.14 110.851 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.8 t -79.2 -34.39 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 74.04 111.115 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.0 mt -69.42 -18.97 63.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 72.13 110.956 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -84.05 -38.2 21.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 73.03 110.871 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.21 -19.94 27.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 64.1 110.867 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.58 -43.73 30.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 75.15 110.891 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.9 t -54.15 -26.98 30.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 74.12 111.135 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -55.54 -26.05 41.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 74.41 110.894 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.76 -25.87 32.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 73.14 110.934 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.08 -27.71 30.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 74.3 110.896 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -65.72 -31.07 71.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 75.13 110.891 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -12.61 61.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 71.0 110.88 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.97 -24.23 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 73.42 111.136 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.12 -20.29 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 74.11 111.079 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -86.9 -16.45 35.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 74.55 110.891 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.58 -66.92 0.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 65.52 110.94 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.0 mp -138.73 74.18 39.28 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.712 . . . . 74.04 111.088 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 88.86 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.653 2.236 . . . . 72.55 112.298 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 63.9 p -58.78 -176.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 72.42 110.859 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.9 p -62.42 -171.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 74.2 111.168 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 52.0 m -88.59 7.17 34.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 71.4 110.877 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.7 m -96.94 -40.68 8.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 71.53 110.862 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.86 -24.42 41.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 65.12 111.101 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.531 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -59.27 -57.53 26.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 71.42 111.117 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.2 Cg_endo -69.79 -19.34 36.13 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.663 2.242 . . . . 74.23 112.312 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.3 mt -78.04 -58.53 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 74.43 110.953 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 7.4 tt -58.73 -24.47 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 75.53 111.082 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.75 -28.88 70.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 71.52 112.427 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -71.13 -44.28 65.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.806 0.336 . . . . 72.21 110.946 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -76.26 -18.99 58.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 74.25 110.924 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 2.5 mtp -69.76 -43.04 73.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 73.51 110.91 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.0 -25.05 37.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.909 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -52.05 -44.87 64.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 75.42 110.887 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 4.6 m -68.84 -24.93 64.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 73.35 111.1 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -81.1 -36.67 30.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 73.53 110.891 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.15 -42.68 68.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 74.5 110.856 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -59.19 -21.72 59.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 74.31 110.89 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 79.5 t -55.85 -25.41 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.484 . . . . 75.4 111.171 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -66.96 -20.04 65.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 74.33 110.867 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.7 t -56.47 -25.09 49.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 74.21 110.874 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.4 m -57.06 -56.49 21.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 75.02 110.875 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 27.2 pt -69.4 -25.93 30.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 64.41 111.163 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -68.93 -58.04 4.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 74.34 110.953 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 57.1 mt -61.19 -49.16 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 75.05 111.158 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.9 p -58.05 -22.46 50.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 73.21 111.202 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -18.6 47.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 74.02 110.891 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -82.61 -20.95 35.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.862 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 1.5 p -57.43 -23.34 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 72.42 111.142 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.8 pp -59.75 -23.56 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 75.43 111.138 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -33.55 66.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 73.42 110.907 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.05 -35.08 29.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 75.43 111.141 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -71.97 -17.62 62.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.88 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -88.46 -42.31 12.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 71.42 110.821 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -52.58 -69.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.875 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.831 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.4 m80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.839 0.352 . . . . 74.02 110.863 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.39 -47.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 74.02 111.112 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.3 -44.58 19.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 75.13 110.845 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.4 m -90.29 -18.96 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 73.14 111.132 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.43 -28.56 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 71.45 111.139 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -52.23 -30.15 26.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 73.33 110.899 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -74.49 -35.6 63.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 61.5 110.857 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.8 mt -62.0 -25.2 36.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 74.15 111.093 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 tt -56.83 -31.91 65.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 75.03 110.922 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -66.74 -18.76 65.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 74.13 110.887 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.7 -40.81 47.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 62.43 110.902 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.14 -27.81 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 74.04 111.093 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -80.74 -19.04 45.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 72.2 110.919 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.04 -55.15 15.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 73.21 110.887 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -39.66 70.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 74.32 110.914 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 83.5 mt -53.26 -34.55 22.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 74.01 111.114 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.9 m -80.59 -24.7 38.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.878 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -80.27 -58.22 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 71.24 110.924 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.7 tt -52.0 -29.69 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 73.14 111.123 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.63 -39.51 95.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 63.21 112.472 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.4 p -91.28 -26.33 19.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.729 0.3 . . . . 75.25 111.122 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -73.34 -33.94 65.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 74.42 110.86 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -71.04 -18.48 62.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 72.11 110.877 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.3 t -59.8 -20.52 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 72.35 111.117 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -86.75 -55.55 3.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 72.53 110.936 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.1 -22.65 29.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 65.22 111.105 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.49 -40.62 32.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 73.01 112.498 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -88.56 -20.21 25.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 73.32 110.852 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -80.21 -38.36 31.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 73.53 110.93 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mp -73.4 -48.04 43.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 74.33 111.135 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.89 -58.2 9.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 73.11 110.903 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.6 mp -51.32 -36.06 40.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 74.35 110.906 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.47 -38.07 68.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 72.13 110.88 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -84.74 -39.83 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 75.12 110.927 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -179.58 -34.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 72.42 110.903 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.39 -1.72 84.51 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 75.52 112.527 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.1 164.54 54.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 64.31 112.479 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 175.42 -176.42 47.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 70.24 112.486 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -103.21 -71.95 0.9 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 55.12 112.472 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.7 -165.3 0.36 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 72.21 112.495 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.84 -177.79 38.0 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 65.24 112.464 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -10.7 29.17 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.258 . . . . 73.43 112.372 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.23 -22.02 39.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 74.4 110.887 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -62.62 -27.27 69.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 73.52 110.929 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -62.89 -52.71 62.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 74.52 110.882 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -78.38 -26.7 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 72.53 111.145 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.1 t -71.19 -31.74 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 62.44 111.159 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -89.45 -24.27 21.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 64.13 110.93 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.08 -27.62 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 72.24 111.179 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.0 mm -91.87 -25.72 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 74.21 111.13 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.485 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -50.88 -60.34 5.72 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.713 0.768 . . . . 73.34 110.898 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.9 Cg_endo -69.76 -34.39 14.66 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.691 2.26 . . . . 73.45 112.371 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.3 m -64.04 -32.68 74.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 64.41 110.9 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.04 -59.08 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 72.31 110.901 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -55.83 -25.31 41.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 75.42 110.889 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -83.84 -24.93 30.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.25 110.903 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.84 -40.69 73.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.507 . . . . 75.53 110.843 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -63.35 -27.12 69.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 73.21 110.91 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.4 mt -66.31 -36.48 83.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 75.54 110.941 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.7 p -62.9 -16.31 58.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 61.12 111.175 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.44 -13.14 39.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 64.22 112.498 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.6 tp -91.01 -12.57 35.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 73.44 110.922 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -95.03 -31.84 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 64.24 111.139 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -95.86 1.05 52.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 72.25 110.882 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -127.17 -47.63 1.47 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 75.44 110.922 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.2 tp -117.68 68.27 5.92 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.625 0.726 . . . . 75.53 110.916 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 129.34 17.43 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.689 2.259 . . . . 75.33 112.321 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.2 m -107.73 -17.05 14.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 75.41 111.144 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -177.99 -170.86 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 71.12 110.885 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -16.68 60.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.24 110.85 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.08 39.05 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 75.31 112.51 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.65 -69.75 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.966 0.413 . . . . 74.21 110.922 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -55.49 -29.83 59.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 64.13 110.936 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.2 mtt -73.45 -60.98 1.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.897 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 t -59.76 -25.83 65.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 60.43 111.127 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -81.05 -22.44 39.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 75.54 110.931 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.8 m -84.36 -27.88 27.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 73.43 110.835 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -62.98 -19.94 64.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 73.32 110.904 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.52 -17.96 49.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.854 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.32 -33.75 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 72.22 111.105 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.6 mt -69.98 -32.17 70.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 74.45 110.89 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.27 -32.48 55.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.86 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 m -87.2 -20.01 27.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 65.24 110.821 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.28 -46.86 15.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 72.4 110.954 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.4 t -53.4 -27.86 26.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 73.4 111.175 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.3 -31.3 53.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 72.54 110.912 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -83.58 -23.79 31.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 75.3 110.871 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.3 tp -83.07 -27.4 30.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 73.33 110.905 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -64.88 -30.53 71.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 75.12 110.941 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -12.7 61.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.846 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -52.15 -24.68 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 73.15 111.126 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 26.3 t -58.35 -20.51 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 64.33 111.145 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.52 -14.88 39.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 75.23 110.88 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.36 -69.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 73.32 110.919 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.2 mp -133.01 73.74 74.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.654 0.74 . . . . 71.23 111.096 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 100.06 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.689 2.259 . . . . 70.41 112.385 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -74.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 74.5 110.873 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.5 p -144.41 -179.28 6.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 75.22 111.13 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.4 m -106.38 -3.2 21.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 64.02 110.868 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.2 m -105.09 -32.48 8.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 72.14 110.849 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.65 -17.24 51.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 52.2 111.091 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.532 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -51.93 -57.6 14.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.621 0.724 . . . . 74.12 111.114 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.75 -21.24 33.81 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.702 2.268 . . . . 74.41 112.325 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.3 tt -75.7 -58.94 2.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 65.41 110.928 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.8 tt -58.08 -26.72 29.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 74.13 111.1 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -54.22 -31.89 50.2 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 74.33 112.454 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -78.69 -39.2 37.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.795 0.331 . . . . 65.41 110.871 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -67.81 -54.45 18.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 73.5 110.949 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -36.17 60.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.873 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.7 tt -79.51 -27.84 41.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 75.44 110.906 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -52.12 -43.96 64.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 73.25 110.852 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.4 m -71.58 -32.09 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 65.12 111.154 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.2 mttp -73.06 -28.89 62.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 75.45 110.93 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -85.97 -24.54 26.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 74.32 110.896 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -52.06 -31.66 31.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 73.04 110.888 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.1 p -52.32 -29.54 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 64.41 111.092 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -56.54 -27.35 57.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 74.4 110.877 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.2 m -59.55 -21.78 60.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 61.42 110.903 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.7 t -67.85 -20.88 65.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 63.0 110.836 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 12.8 mt -79.76 -53.22 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 63.23 111.151 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -53.09 -37.09 61.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 73.35 110.907 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 29.9 mt -65.3 -36.59 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 64.25 111.11 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -22.58 59.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 72.34 111.106 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -60.18 -18.41 47.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 71.23 110.846 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -84.72 -19.91 31.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 74.12 110.841 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.59 -25.63 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 70.03 111.156 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.81 -22.86 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 75.31 111.161 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.0 -24.74 32.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 75.32 110.862 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.07 -44.02 7.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 74.41 111.166 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -61.35 -29.26 69.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 73.14 110.886 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -77.41 -51.81 10.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 70.14 110.85 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -52.07 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 71.04 110.839 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 63.12 110.875 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.836 0.351 . . . . 72.35 110.891 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -169.59 -47.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 72.23 111.078 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 22.4 mmt -80.14 -44.56 19.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 75.33 110.878 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.31 -18.93 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 72.41 111.126 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.43 -28.43 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 74.42 111.135 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -73.99 -24.3 59.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 73.13 110.862 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -76.59 -56.21 4.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 75.41 110.914 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.7 mt -52.78 -28.76 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 70.52 111.167 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.48 -43.31 71.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 74.02 110.877 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -66.17 -18.92 65.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 73.34 110.887 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -76.76 -40.54 48.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 63.32 110.904 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.14 -27.73 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 75.04 111.109 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -80.84 -18.94 45.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 72.22 110.855 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.98 -52.5 35.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 74.25 110.857 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -32.5 73.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 74.02 110.879 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.9 mt -54.5 -33.86 27.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 75.24 111.134 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.02 -21.36 40.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 62.31 110.881 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -85.04 -59.01 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 72.14 110.881 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.2 tp -52.08 -29.58 11.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 72.23 111.104 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.95 -36.77 93.47 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 73.22 112.491 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.02 -21.04 20.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.749 0.309 . . . . 74.43 111.13 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -69.43 -29.55 67.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.893 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.4 p -81.91 -17.95 45.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 75.12 110.861 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.5 t -65.13 -20.47 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 74.3 111.138 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -86.21 -59.27 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 71.33 110.886 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.26 -23.19 46.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 71.32 111.107 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.46 -39.83 41.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 72.03 112.532 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.62 -26.39 21.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 72.1 110.85 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 mp -72.27 -38.23 68.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 73.11 110.908 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mp -78.47 -37.69 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 72.42 111.105 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -46.18 86.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 72.22 110.9 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 mp -51.85 -47.51 64.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 73.12 110.938 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.35 -34.7 61.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 64.12 110.84 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -56.25 -36.92 69.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 73.21 110.928 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -179.52 -34.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 72.22 110.902 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.78 -9.21 78.37 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.754 -0.736 . . . . 45.14 112.486 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.6 167.56 13.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.741 -0.742 . . . . 71.11 112.497 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 158.3 162.87 12.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 74.34 112.508 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.77 -101.96 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.743 . . . . 73.32 112.496 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.63 175.05 0.35 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 73.5 112.456 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.15 -178.81 28.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.694 -0.765 . . . . 73.53 112.496 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -10.64 29.03 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.654 2.236 . . . . 74.33 112.361 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.36 -35.0 31.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 75.01 110.948 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -61.23 -36.25 79.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 72.24 110.915 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -63.99 -51.96 61.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 73.34 110.888 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.5 t -69.1 -32.21 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 74.44 111.126 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.5 t -72.6 -37.28 55.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 74.24 111.143 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -84.28 -24.71 29.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 63.13 110.892 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.6 t -85.2 -45.29 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 73.53 111.13 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 35.5 mm -75.12 -22.53 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 74.1 111.141 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.474 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.5 mt-10 -51.24 -60.56 5.48 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.638 0.733 . . . . 71.22 110.848 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.5 Cg_endo -69.81 -32.65 17.96 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.654 2.236 . . . . 73.4 112.384 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 66.0 m -64.2 -31.41 72.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 72.41 110.849 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -53.01 -53.44 50.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 75.52 110.894 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -55.77 -25.56 41.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 62.4 110.93 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.9 -24.97 30.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 72.23 110.878 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.83 -38.96 65.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 64.24 110.894 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.45 -25.83 68.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 64.41 110.846 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.1 mt -66.53 -32.45 73.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 72.43 110.863 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.7 m -62.59 -20.6 64.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 74.32 111.152 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.29 -13.77 37.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 63.21 112.501 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.6 tp -91.01 -11.07 39.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 74.01 110.941 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -95.01 -31.99 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 72.34 111.129 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -95.86 1.06 52.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 72.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -119.58 -61.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 70.25 110.943 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.4 tp -139.88 74.42 32.01 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.583 0.706 . . . . 75.31 110.89 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 129.3 17.34 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.638 2.225 . . . . 74.55 112.37 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.4 m -65.7 -14.33 61.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 72.43 111.13 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -177.9 -171.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 64.21 110.83 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 p -62.85 -16.84 60.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 75.05 110.881 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.8 29.75 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 73.3 112.452 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -71.22 -43.74 66.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.383 . . . . 73.31 110.857 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -81.03 -22.1 39.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 75.53 110.877 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 8.1 mtt -84.41 -44.77 13.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 75.3 110.87 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.0 t -57.62 -22.97 48.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 61.54 111.176 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -81.18 -19.98 42.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 73.42 110.877 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.9 m -74.98 -26.77 59.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 54.2 110.857 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.4 ttmt -74.59 -22.11 59.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 72.5 110.875 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.6 t -87.03 -17.93 31.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 70.31 110.865 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 15.9 t -82.07 -34.36 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 63.22 111.105 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 47.0 mt -86.1 -33.54 20.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 63.32 110.922 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.56 -37.65 62.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.54 110.9 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 24.1 t -80.93 -19.95 43.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 74.13 110.829 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.2 tp -76.99 -48.66 17.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 74.04 110.917 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.8 t -53.77 -27.49 29.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 73.15 111.161 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.74 -35.94 56.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 74.22 110.936 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.4 mmpm? -83.6 -22.96 32.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 75.12 110.921 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 11.3 tp -82.24 -22.83 35.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 71.33 110.931 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -79.82 -36.22 37.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 75.11 110.877 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -12.48 61.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 72.33 110.876 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.89 -24.62 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 71.2 111.132 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -57.65 -20.72 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 72.44 111.098 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -87.27 -18.85 29.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 71.31 110.856 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -88.35 -68.36 0.77 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.916 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.3 mp -139.48 74.2 34.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.73 . . . . 73.42 111.124 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 82.65 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.272 . . . . 74.4 112.395 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 59.0 m -52.06 -68.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 60.34 110.834 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.1 p -142.56 131.37 22.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 73.1 111.148 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.9 t -79.58 -5.82 55.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 72.34 110.832 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.48 -31.71 53.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 75.31 110.83 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.84 -17.0 52.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 74.24 111.128 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.532 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -52.22 -57.57 14.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.633 0.73 . . . . 73.44 111.07 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.7 Cg_endo -69.73 -23.32 31.08 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.724 2.283 . . . . 71.21 112.341 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.59 -58.08 3.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 74.45 110.918 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -56.4 -24.95 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 74.52 111.149 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -52.92 -31.91 40.44 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 75.51 112.511 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -83.75 -33.01 25.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.766 0.317 . . . . 71.34 110.9 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -73.78 -29.57 62.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 73.52 110.916 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.05 -54.07 25.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 71.25 110.898 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -25.96 59.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 63.12 110.94 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -53.33 -39.21 63.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 71.2 110.843 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 20.3 m -71.63 -44.91 63.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 73.43 111.139 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -66.02 -24.81 66.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 74.25 110.887 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -75.85 -31.1 59.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.928 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -51.21 26.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 74.54 110.902 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 6.9 p -58.11 -23.02 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 64.54 111.159 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -20.03 66.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.911 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.3 -47.62 19.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 70.44 110.862 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.1 p -57.77 -35.96 71.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 70.44 110.901 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 37.8 pt -79.02 -24.23 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 72.35 111.136 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -82.53 -29.11 30.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.92 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 63.4 mt -65.25 -35.21 74.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 73.3 111.154 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.83 -22.51 66.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 74.43 111.147 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.16 -18.42 47.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 74.13 110.899 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -85.51 -19.69 30.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.86 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.75 -26.77 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 74.55 111.126 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -30.83 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 75.3 111.121 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -21.52 59.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 71.34 110.877 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -44.03 33.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 73.25 111.119 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -76.09 -8.97 58.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 65.33 110.885 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -104.86 -24.79 12.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 72.04 110.841 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.868 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.86 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.794 0.331 . . . . 75.05 110.851 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.36 -47.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 63.01 111.092 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.26 -44.58 19.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 72.33 110.849 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 t -90.29 -19.04 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 73.44 111.108 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.38 -28.53 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 73.25 111.085 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -73.23 -19.62 61.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 71.31 110.847 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -83.98 -19.99 33.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.913 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.8 mm -75.82 -25.05 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 75.42 111.143 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.7 tp -53.85 -45.18 70.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 75.03 110.922 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -65.83 -18.92 65.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 75.41 110.87 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.5 t -76.83 -40.33 48.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 52.42 110.889 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.09 -27.81 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.15 111.097 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -80.83 -19.01 45.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 72.21 110.889 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -68.29 -56.43 8.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 74.13 110.865 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -51.52 -41.26 60.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.878 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 66.4 mt -54.23 -34.81 28.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 75.11 111.136 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.03 -21.06 40.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 64.45 110.837 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.36 -59.01 2.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 62.31 110.903 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 tp -52.1 -29.53 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 72.23 111.173 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.55 -48.3 85.5 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 65.13 112.496 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.05 -29.52 21.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.798 0.332 . . . . 75.42 111.165 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -71.22 -37.64 72.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 74.5 110.919 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -82.03 -28.56 32.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 74.04 110.822 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.5 t -59.57 -20.7 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 73.41 111.116 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -87.64 -52.84 5.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 73.24 110.876 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.48 -24.07 29.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 64.4 111.082 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.24 -41.79 68.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.779 -0.724 . . . . 64.43 112.507 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.68 -20.35 23.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.37 . . . . 73.42 110.846 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mp -78.88 -35.79 43.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 72.21 110.923 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mp -76.89 -52.23 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 75.4 111.168 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -54.56 -51.97 63.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 63.41 110.872 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 mp -51.02 -35.67 35.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 73.31 110.921 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 m -82.02 -28.93 32.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 63.05 110.909 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -63.51 94.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 75.42 110.895 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -141.47 12.75 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.889 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.04 -27.96 47.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 73.32 112.485 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -131.73 -36.47 0.32 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 61.43 112.462 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.72 147.23 10.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 51.15 112.443 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -173.5 178.06 45.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.683 -0.77 . . . . 73.45 112.429 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.24 -171.99 0.45 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 75.12 112.478 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -92.02 179.97 41.29 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.685 -0.769 . . . . 75.05 112.445 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -10.93 29.71 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.667 2.245 . . . . 74.45 112.349 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.34 -28.18 42.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.883 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -30.47 68.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 75.02 110.911 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -65.09 -47.83 75.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 75.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -26.44 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 74.51 111.109 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 t -78.54 -31.74 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 75.14 111.138 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -89.18 -24.66 22.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 75.55 110.905 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.0 t -85.61 -45.33 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 72.11 111.14 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 36.4 mm -75.11 -22.39 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 75.53 111.144 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.471 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.6 mt-10 -51.68 -60.56 5.7 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.633 0.73 . . . . 71.4 110.914 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.8 Cg_endo -69.76 -26.59 27.43 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.688 2.259 . . . . 73.0 112.357 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -32.79 74.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 75.32 110.884 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.81 -58.46 7.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 73.34 110.9 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -55.73 -25.57 41.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 73.3 110.905 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -84.09 -24.85 30.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 71.21 110.889 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -41.58 80.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 55.22 110.835 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -64.83 -27.45 68.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 70.05 110.889 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.6 mt -67.22 -37.95 84.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 75.53 110.876 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.7 p -62.84 -16.39 58.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 72.35 111.143 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.85 -13.38 37.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 73.33 112.487 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.4 tp -91.01 -10.6 41.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.906 0.384 . . . . 74.4 110.958 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -95.08 -31.71 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 73.15 111.103 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -97.11 1.09 49.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.847 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -124.03 -56.61 1.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 63.53 110.922 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 68.3 mt -113.95 72.71 2.2 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.593 0.711 . . . . 73.13 110.954 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 129.05 16.97 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.753 2.302 . . . . 72.23 112.357 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 47.5 m -102.68 -17.15 15.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 73.15 111.149 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -178.01 -170.8 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 71.31 110.861 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -16.69 60.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 71.35 110.85 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.94 39.14 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 73.13 112.428 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.04 -69.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.921 0.391 . . . . 73.51 110.914 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -54.72 -27.92 44.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 73.41 110.915 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 10.2 mtt -76.47 -61.05 2.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 75.24 110.877 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -58.89 -25.99 63.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 63.51 111.15 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -76.68 -28.05 55.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 71.4 110.941 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 51.3 m -84.99 -26.07 27.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 75.11 110.848 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -64.49 -32.2 73.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 75.42 110.967 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -17.97 65.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 73.41 110.871 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.0 t -87.02 -23.02 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 75.44 111.076 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 35.9 mt -68.7 -36.21 78.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.884 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.42 -34.22 41.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 70.1 110.915 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -81.19 -19.92 42.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 75.51 110.855 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.1 tp -70.84 -45.95 63.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 74.32 110.908 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.8 t -53.79 -27.24 27.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 74.42 111.132 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.86 -32.04 60.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 72.1 110.864 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -22.98 32.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 74.33 110.927 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.46 -36.61 26.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.912 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -65.35 -29.92 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 74.03 110.934 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -12.64 61.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 74.53 110.925 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.89 -24.79 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 74.32 111.107 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.9 t -57.6 -20.98 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 71.12 111.175 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -87.45 -18.59 29.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 64.05 110.877 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -89.14 -69.6 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 73.41 110.93 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.2 mp -137.71 73.9 46.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.584 0.707 . . . . 64.2 111.171 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 78.52 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.731 2.288 . . . . 71.11 112.331 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.0 m -53.88 -74.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 75.44 110.851 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -159.34 175.94 12.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 72.44 111.163 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 t -91.79 7.33 42.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 71.13 110.867 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.6 t -79.72 -42.1 25.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 72.5 110.845 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.06 -17.03 53.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 73.13 111.125 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.51 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -52.61 -57.55 15.36 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.581 0.705 . . . . 73.05 111.106 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.7 Cg_endo -69.76 -34.48 14.5 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.695 2.263 . . . . 72.0 112.363 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 28.5 mt -63.34 -55.34 25.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 74.31 110.887 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 14.9 tt -68.5 -24.7 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 63.13 111.112 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -69.58 -33.7 72.28 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.759 . . . . 44.43 112.531 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -65.35 -33.34 75.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 65.1 110.904 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -85.09 -18.96 32.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 71.44 110.876 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.17 -52.74 37.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 74.54 110.887 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -24.97 55.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 75.11 110.93 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.05 -31.4 29.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 61.3 110.893 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 24.9 p -86.39 -28.17 23.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 54.31 111.137 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -69.09 -37.67 78.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.91 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -74.82 -31.68 61.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 75.34 110.874 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.26 -24.77 64.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 75.51 110.883 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 64.6 t -56.31 -28.39 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 75.41 111.141 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.36 -20.23 65.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 74.01 110.937 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 67.9 m -57.59 -23.83 52.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 74.43 110.813 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.4 m -64.08 -53.05 55.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 72.45 110.858 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 27.8 pt -72.1 -25.75 24.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 74.32 111.09 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -70.68 -55.26 9.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.908 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 20.8 mt -62.4 -47.43 93.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 71.41 111.155 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 66.8 p -61.6 -22.57 65.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 75.14 111.113 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.04 -18.61 47.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 72.45 110.909 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -83.94 -24.16 30.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 73.42 110.916 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.0 -20.26 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 74.31 111.083 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 2.2 pp -53.84 -28.01 16.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 64.43 111.164 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -52.09 -34.38 43.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 75.02 110.881 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.7 -42.18 8.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 74.31 111.109 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -60.38 -20.24 58.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 74.43 110.851 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -83.64 -53.08 5.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 73.32 110.881 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -52.46 -66.92 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 75.53 110.835 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 74.11 110.822 -179.764 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.77 0.319 . . . . 74.23 110.869 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -169.07 -47.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 71.04 111.062 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.4 mmt -80.14 -44.49 19.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 74.51 110.864 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.0 t -90.3 -18.96 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 73.12 111.138 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.45 -28.44 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 74.2 111.156 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -81.16 -21.78 39.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 72.55 110.847 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.04 -49.32 10.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 71.42 110.884 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.7 mt -56.11 -24.99 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 72.44 111.116 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 tt -52.6 -49.48 64.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 74.52 110.916 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt -66.14 -18.83 65.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 74.24 110.887 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -40.3 47.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 63.52 110.913 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.09 -27.79 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 74.21 111.175 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -80.82 -19.0 45.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 75.3 110.923 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -68.19 -53.78 22.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 75.41 110.894 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -38.18 84.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 71.53 110.905 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 58.4 mt -52.15 -35.08 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 75.23 111.124 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -81.02 -26.98 36.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 74.2 110.915 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -76.99 -57.76 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 73.41 110.937 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.2 tp -51.75 -29.96 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 73.52 111.135 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.2 -35.35 88.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 63.22 112.493 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.99 -20.94 20.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.32 . . . . 75.43 111.193 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.99 -41.04 68.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 71.41 110.867 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.2 m -66.95 -18.02 65.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 72.14 110.868 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.0 t -70.32 -20.56 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 53.23 111.123 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -86.16 -59.31 2.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 71.44 110.855 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.17 -21.76 24.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 63.02 111.112 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.6 -37.8 26.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.797 -0.716 . . . . 70.24 112.471 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.54 -25.1 22.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.813 0.339 . . . . 74.24 110.889 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 mp -76.03 -40.11 54.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 73.11 110.877 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mp -72.03 -48.66 48.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 75.23 111.119 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -53.84 -60.49 3.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 74.2 110.878 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 mp -50.78 -36.11 35.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 75.14 110.927 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -55.7 -35.8 66.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 63.42 110.832 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -90.58 -39.07 12.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 72.52 110.919 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -177.77 -35.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 63.22 110.873 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.61 -26.96 15.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 63.21 112.488 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.05 -105.36 1.81 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 70.24 112.504 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 151.64 -150.23 22.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 71.32 112.511 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.85 -137.03 24.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 73.52 112.474 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.17 167.91 0.8 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.721 -0.752 . . . . 74.4 112.482 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -96.13 -178.78 35.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.742 . . . . 72.24 112.49 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -10.73 29.29 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.666 2.244 . . . . 72.24 112.332 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.11 -33.89 32.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 73.25 110.899 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -65.75 -41.25 92.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 73.25 110.916 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.84 -30.52 71.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 74.5 110.894 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.5 t -88.71 -27.97 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 75.04 111.131 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.1 t -80.88 -28.43 11.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 72.34 111.155 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.8 -24.68 22.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 72.01 110.875 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.8 p -88.87 -28.12 5.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 72.14 111.154 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.5 mm -91.26 -25.91 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 74.14 111.119 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.484 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.7 mt-10 -51.3 -60.19 6.26 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.613 0.72 . . . . 75.32 110.902 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.9 Cg_endo -69.71 -33.96 15.71 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.698 2.265 . . . . 75.51 112.356 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.1 m -63.49 -32.23 73.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 75.1 110.927 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -51.99 -52.53 49.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.887 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.02 -25.22 43.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 70.51 110.908 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.31 -24.93 34.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 74.12 110.886 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.27 -39.02 78.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 65.44 110.862 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -57.12 -27.26 61.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.922 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.5 mt -67.53 -32.91 74.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 74.1 110.926 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.0 m -62.41 -21.96 65.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 74.41 111.16 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.06 -11.24 55.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.693 -0.765 . . . . 74.55 112.493 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.5 tp -90.98 -12.47 35.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 72.44 110.941 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -94.85 -32.05 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 75.23 111.136 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -86.27 1.14 52.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 65.34 110.892 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.97 -71.24 0.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 70.44 110.911 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -135.3 75.46 58.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 63.43 110.932 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 134.34 27.73 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.675 2.25 . . . . 71.22 112.351 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.0 m -61.7 -17.4 55.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 75.21 111.123 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -177.6 -172.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.845 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.8 t -62.09 -17.55 57.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 51.52 110.857 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -172.36 39.1 0.16 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.749 . . . . 71.44 112.507 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -86.15 -41.17 14.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 70.5 110.846 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -81.07 -28.75 35.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 71.13 110.91 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 7.5 mtt -76.89 -48.45 18.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 71.24 110.891 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.6 t -54.64 -30.88 56.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 70.32 111.134 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -86.64 -19.98 28.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 71.35 110.874 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.2 p -83.9 -26.3 29.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 63.34 110.913 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.09 -34.22 24.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 74.35 110.906 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.9 t -62.16 -18.03 59.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 75.15 110.864 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.5 t -84.13 -22.98 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 75.11 111.153 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 56.4 mt -81.37 -35.66 30.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 64.12 110.906 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -79.62 -34.09 40.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 74.43 110.941 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.1 p -81.07 -19.93 42.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 75.44 110.848 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.0 tp -70.8 -45.93 63.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 73.01 110.908 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.8 t -53.75 -27.26 27.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 74.21 111.129 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.14 -31.13 61.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 75.35 110.859 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.58 -23.33 32.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 73.11 110.871 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -83.02 -22.98 33.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 73.4 110.96 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -67.34 -32.52 73.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 75.25 110.897 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -12.61 61.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 73.4 110.926 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -52.01 -24.55 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 73.42 111.112 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -57.62 -20.75 14.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 74.42 111.177 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -87.26 -18.95 29.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 72.13 110.885 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.27 -68.63 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 74.2 110.88 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.9 mp -138.58 74.01 40.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.604 0.716 . . . . 75.44 111.168 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 176.78 6.28 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 71.5 112.394 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.7 p -151.5 -170.01 3.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 74.45 110.867 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 32.3 p -51.74 160.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 75.12 111.171 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.77 6.68 40.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 63.52 110.854 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 67.7 m -82.85 -46.23 13.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 42.22 110.891 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -85.02 -17.01 38.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 74.31 111.085 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.519 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -51.74 -57.54 14.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 75.01 111.084 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.0 Cg_endo -69.78 -13.25 34.37 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.7 2.267 . . . . 62.24 112.336 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.51 -58.04 2.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 75.21 110.919 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 7.3 tt -56.17 -24.89 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 74.25 111.136 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -69.87 -21.34 76.64 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.717 -0.754 . . . . 75.24 112.504 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -86.76 -49.92 7.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 64.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -53.24 -36.96 61.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 73.53 110.9 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 33.9 mtm -59.46 -43.47 93.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 75.33 110.9 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.05 -27.01 67.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 73.43 110.9 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -52.36 -36.83 54.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 74.05 110.914 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 70.1 p -76.69 -49.55 15.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 75.25 111.087 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -58.48 -22.47 55.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 73.44 110.91 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.43 -35.72 21.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 71.44 110.891 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -65.92 -24.42 66.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 75.42 110.858 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 96.3 t -58.11 -24.18 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 72.44 111.133 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -62.26 -20.05 63.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.903 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 36.4 m -58.04 -23.68 55.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.876 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.0 m -68.18 -56.35 9.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 71.11 110.816 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 34.0 pt -66.21 -26.66 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 72.55 111.151 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 27.9 tttt -78.76 -29.9 45.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 74.04 110.955 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 32.5 mt -83.69 -47.05 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 74.2 111.136 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 21.5 p -67.82 -22.52 65.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 71.52 111.123 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -18.67 47.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 72.12 110.916 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -82.0 -21.2 37.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 75.23 110.936 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -69.76 -21.08 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 72.1 111.117 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.5 pp -63.92 -22.99 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 74.12 111.104 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.453 ' ND2' ' HG1' ' A' ' 136' ' ' THR . 0.1 OUTLIER -51.92 -35.42 45.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 75.55 110.896 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.453 ' HG1' ' ND2' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -95.98 -22.39 17.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.105 -0.498 . . . . 74.12 111.12 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -78.5 -3.61 44.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 71.11 110.871 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.12 -18.25 10.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 72.01 110.839 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.15 -37.86 6.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 75.31 110.896 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.852 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.833 0.349 . . . . 74.13 110.864 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.35 -47.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 75.11 111.075 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.5 mmt -80.17 -44.57 19.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 74.11 110.842 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.27 -18.9 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 74.21 111.156 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.45 -28.55 7.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 75.33 111.092 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -75.14 -19.78 59.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.881 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -73.7 -31.55 63.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.865 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.4 mm -74.3 -25.17 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 74.01 111.161 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.84 -42.91 72.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.894 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -66.7 -18.84 65.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 65.13 110.907 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -76.8 -40.67 47.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 73.54 110.922 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.1 -27.85 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 55.01 111.118 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -80.82 -18.9 45.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 74.2 110.922 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -67.27 -50.19 61.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 72.53 110.874 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -33.72 75.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 73.45 110.917 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.7 mt -53.53 -35.14 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 74.11 111.158 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.99 -22.9 39.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 75.51 110.916 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -81.66 -58.39 3.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 73.03 110.919 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -55.61 -25.53 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 72.44 111.177 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.78 -34.37 89.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 73.54 112.452 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.1 p -91.93 -21.03 20.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 73.01 111.175 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.43 -28.22 66.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 75.3 110.905 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.2 m -81.84 -17.99 45.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 72.04 110.863 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.6 t -69.62 -20.46 23.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 75.25 111.142 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -86.22 -59.16 2.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 73.12 110.888 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.88 -22.42 37.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 62.45 111.088 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.09 -39.4 27.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 75.41 112.44 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.23 -23.9 23.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 75.23 110.839 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -76.15 -39.41 55.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 73.1 110.886 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.36 -40.61 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 73.11 111.104 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -63.1 -59.14 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 72.53 110.918 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -50.55 -35.94 32.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 72.21 110.903 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.79 -37.8 77.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 52.53 110.844 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -84.91 -38.97 18.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 74.5 110.926 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -179.43 -34.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.876 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.26 -27.95 14.97 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.73 -0.748 . . . . 74.42 112.482 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.02 -169.62 50.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 53.11 112.483 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.67 -142.69 4.41 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 73.12 112.507 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 54.32 -137.0 42.4 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.739 -0.743 . . . . 73.31 112.441 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.48 178.69 0.4 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 70.51 112.493 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.64 -178.53 28.3 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 73.43 112.532 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -10.74 29.29 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.7 2.267 . . . . 75.55 112.335 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.25 -21.97 39.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 73.11 110.88 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -80.08 -31.98 39.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 73.31 110.946 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -30.57 71.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 70.14 110.879 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.2 t -88.83 -27.95 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 72.31 111.096 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.4 t -80.86 -28.45 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 63.41 111.109 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -24.55 22.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 75.22 110.874 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.8 p -89.12 -27.98 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 74.55 111.109 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 15.4 mm -91.28 -26.04 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 71.04 111.084 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.485 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -51.38 -60.3 6.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.658 0.742 . . . . 64.55 110.875 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.7 Cg_endo -69.75 -33.35 16.79 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.689 2.259 . . . . 75.42 112.324 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.9 m -63.65 -30.97 72.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 74.02 110.842 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -52.98 -50.44 64.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 65.23 110.919 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.12 -25.74 47.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 74.25 110.866 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.1 -24.87 37.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 73.02 110.903 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.2 m -52.86 -34.37 54.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 75.42 110.82 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.69 -26.24 43.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 73.51 110.91 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.1 mt -70.24 -35.44 73.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 75.44 110.903 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.0 m -62.73 -20.68 65.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 74.13 111.149 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.51 -13.4 41.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.726 . . . . 73.43 112.484 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.1 tp -91.04 -9.67 44.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.902 0.382 . . . . 74.1 110.966 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -95.0 -31.9 4.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 74.13 111.17 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -97.01 1.14 49.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 75.13 110.919 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -119.24 -60.86 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 74.45 110.922 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.8 mt -140.11 74.57 30.45 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.617 0.722 . . . . 75.44 110.885 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 129.48 17.66 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.667 2.245 . . . . 74.44 112.312 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.3 m -58.24 -21.96 50.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 74.31 111.14 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -176.81 -171.63 0.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 71.43 110.873 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -16.94 59.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.857 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.9 29.0 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 64.41 112.518 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -82.6 -47.39 12.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 64.31 110.906 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -34.67 57.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.35 110.908 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 16.4 mtt -68.07 -55.57 12.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 65.51 110.892 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 t -53.65 -27.55 27.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 75.35 111.148 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -80.77 -30.53 36.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 72.55 110.911 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.01 -21.02 29.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 73.12 110.848 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -77.67 -52.97 8.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 74.33 110.908 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.8 t -62.13 -17.99 59.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.857 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.4 t -73.63 -31.85 33.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 73.22 111.139 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.2 mt -70.3 -33.23 71.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 74.5 110.911 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.96 -28.16 27.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 72.33 110.926 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.3 m -87.25 -19.95 27.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 63.13 110.876 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.36 -44.25 62.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 71.53 110.923 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.5 t -54.28 -26.76 30.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 70.11 111.135 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -27.19 36.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 74.45 110.903 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.49 -29.76 52.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 72.11 110.914 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.4 tp -83.16 -28.34 29.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 73.41 110.878 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -65.17 -30.78 71.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 73.32 110.857 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -12.7 61.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 75.22 110.865 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -52.1 -24.7 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 61.33 111.126 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 56.9 t -58.21 -20.46 15.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 74.44 111.171 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -88.11 -16.0 34.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 70.33 110.876 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.4 -70.96 0.72 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 73.03 110.935 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.7 mp -128.85 73.76 81.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.602 0.715 . . . . 71.14 111.119 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 113.44 3.37 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 74.2 112.336 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.0 m -75.08 -70.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 62.31 110.897 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.2 p -138.42 179.73 6.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 60.32 111.125 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.8 m -121.97 0.5 9.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.833 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.65 -37.34 7.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 71.23 110.869 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.23 -17.48 52.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 62.42 111.156 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.527 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -52.67 -57.58 15.3 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.64 0.734 . . . . 74.1 111.148 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.5 Cg_endo -69.76 -13.59 34.89 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 73.41 112.352 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.46 -53.49 6.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.948 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 8.4 tt -71.88 -24.62 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 75.54 111.13 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -55.76 -23.81 38.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.723 . . . . 74.31 112.462 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -84.59 -40.77 17.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.777 0.322 . . . . 74.33 110.94 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -61.75 -39.57 92.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 74.13 110.933 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 11.3 mtp -59.2 -35.29 73.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 65.25 110.897 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.9 tt -71.94 -25.39 61.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 75.31 110.918 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -52.12 -35.58 48.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 74.34 110.86 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 22.9 m -75.58 -39.59 57.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 75.32 111.105 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.45 -32.26 73.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 75.21 110.894 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.63 -41.1 76.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 74.55 110.882 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -61.26 -22.77 65.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 74.2 110.845 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 89.5 t -57.86 -23.53 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 71.35 111.157 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -59.62 -22.62 62.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 71.53 110.845 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 39.7 m -57.33 -24.38 54.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 60.53 110.897 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.28 -54.91 38.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 71.22 110.873 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 38.7 pt -70.53 -26.26 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 71.55 111.125 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -72.24 -27.88 62.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 74.54 110.916 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 30.3 mt -84.95 -33.7 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.54 111.142 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 40.0 p -63.46 -22.51 66.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 75.41 111.167 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -60.16 -18.5 48.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 73.41 110.848 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -85.54 -19.65 30.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 62.44 110.87 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.91 -26.81 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 73.21 111.113 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -30.9 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 74.11 111.143 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -22.1 61.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.866 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.99 -44.01 7.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 73.03 111.143 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -65.47 -15.07 62.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 64.44 110.895 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -92.44 -49.2 6.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 75.32 110.819 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -52.03 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 74.12 110.841 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.886 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 . . . . . 0 CA--C 1.526 0.054 0 CA-C-O 120.794 0.33 . . . . 74.31 110.87 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.2 -47.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 72.44 111.135 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -44.51 19.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 62.51 110.898 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 t -90.33 -18.93 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 74.31 111.132 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.37 -28.56 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 71.43 111.164 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.53 -19.84 60.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 73.11 110.903 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -83.12 -20.88 33.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 75.31 110.895 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -73.94 -24.97 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 75.24 111.121 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.5 tp -52.84 -49.19 66.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 75.12 110.904 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.95 -18.84 65.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 71.2 110.886 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -40.04 48.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 73.05 110.881 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.08 -27.7 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 74.35 111.168 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -80.91 -18.91 45.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 64.33 110.933 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -69.39 -34.9 75.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 60.3 110.869 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -35.95 74.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.53 110.864 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.0 mt -51.96 -38.25 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 74.02 111.148 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.1 m -81.0 -23.6 38.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.893 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -77.56 -57.79 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 73.34 110.861 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.9 pp -51.67 -30.02 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 74.34 111.122 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.19 -41.81 98.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.749 . . . . 74.32 112.528 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -28.24 25.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.756 0.312 . . . . 71.3 111.152 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -79.79 -31.64 40.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 73.11 110.899 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.2 t -81.97 -27.23 33.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.44 110.877 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.3 t -59.67 -20.52 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 74.12 111.118 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.77 -56.48 3.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 74.55 110.89 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.12 -23.35 33.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 73.22 111.095 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.73 -40.76 44.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 74.21 112.49 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.0 mmm-85 -88.83 -21.86 23.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 74.21 110.828 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -78.71 -36.17 43.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 73.32 110.876 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.11 -40.07 57.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 73.14 111.125 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.0 -45.82 63.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 74.51 110.892 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 mp -51.73 -30.66 23.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 72.34 110.913 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.06 -35.16 49.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 74.13 110.899 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -50.85 103.96 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 75.5 110.951 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -131.21 4.39 4.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 63.22 110.897 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.29 -30.15 69.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.792 -0.718 . . . . 71.15 112.44 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 131.08 89.34 0.49 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 71.43 112.528 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.08 -151.88 13.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 51.14 112.513 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -145.66 -81.69 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.755 -0.736 . . . . 44.14 112.495 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.16 165.28 1.28 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 73.11 112.539 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -99.65 -164.93 29.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.747 . . . . 61.33 112.528 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -9.99 27.45 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.688 2.259 . . . . 72.43 112.354 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.4 mt -73.25 -21.99 60.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 72.41 110.923 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -28.16 49.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 75.41 110.943 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.98 -38.85 86.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 75.44 110.903 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.34 -26.35 6.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 75.24 111.131 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t -75.94 -31.93 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 73.52 111.124 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.25 -24.75 22.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 75.33 110.886 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.9 t -85.8 -45.15 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 72.31 111.118 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.7 mm -75.17 -22.41 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 73.52 111.1 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.475 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.69 -60.67 5.49 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.681 0.753 . . . . 74.22 110.918 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.2 Cg_endo -69.75 -26.31 27.74 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.663 2.242 . . . . 70.2 112.312 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -35.6 80.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 75.01 110.874 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -54.69 -57.75 10.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.54 110.898 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -55.62 -25.7 40.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 74.21 110.906 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -84.31 -24.9 29.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 75.54 110.899 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.9 m -56.46 -41.35 76.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 75.52 110.83 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -68.44 -26.46 65.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 75.34 110.908 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 72.7 mt -69.13 -38.8 79.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 75.02 110.952 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.4 m -62.63 -17.43 60.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 73.22 111.112 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.39 -13.34 38.9 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 44.04 112.492 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.7 tp -91.04 -9.36 46.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.892 0.377 . . . . 75.23 110.917 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -95.01 -31.68 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 74.24 111.127 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -98.15 1.09 47.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 75.34 110.856 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -123.15 -58.42 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.492 . . . . 71.44 110.935 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 tt -113.79 73.5 2.25 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.557 0.694 . . . . 75.32 110.894 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 129.08 16.97 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.625 2.216 . . . . 74.53 112.357 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.7 m -100.44 -17.55 17.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 64.12 111.201 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -178.04 -170.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.795 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.3 p -63.29 -16.37 60.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 72.14 110.873 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.86 38.29 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 64.21 112.505 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -69.79 -68.57 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 72.21 110.9 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -55.58 -27.29 48.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 75.14 110.897 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.9 mtt -77.58 -61.04 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 74.55 110.869 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 t -58.24 -26.18 62.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 73.21 111.088 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -76.64 -29.23 56.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 74.12 110.866 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 51.1 m -85.0 -25.94 27.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 64.01 110.859 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -65.21 -24.48 67.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 74.31 110.901 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.07 -17.93 59.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.873 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.2 t -77.31 -23.03 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 70.25 111.147 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.1 mt -68.6 -35.89 77.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 61.45 110.974 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -79.03 -34.75 43.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 73.45 110.883 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 t -81.04 -19.99 42.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 74.04 110.88 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.0 tp -71.31 -46.03 61.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 74.54 110.94 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.9 t -53.85 -27.3 29.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 72.43 111.159 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.5 -35.76 60.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 71.15 110.906 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -83.57 -22.94 32.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 72.43 110.914 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.9 tp -82.52 -23.0 34.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 75.42 110.884 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -67.66 -32.83 73.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 72.41 110.905 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -12.49 60.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 73.45 110.868 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.32 -24.75 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 72.05 111.093 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 70.8 t -57.2 -23.29 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 73.33 111.131 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -89.5 -13.74 36.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 71.55 110.867 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -104.4 69.4 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 74.55 110.966 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.4 mp 49.93 79.88 0.32 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.625 0.726 . . . . 74.41 111.181 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 151.99 69.08 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.653 2.235 . . . . 74.23 112.325 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 p -82.56 -179.95 7.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 64.45 110.87 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 30.4 p -59.21 -178.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 72.53 111.139 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.48 1.46 41.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 61.32 110.865 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.0 -35.18 12.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 74.04 110.882 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.13 -19.45 43.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 71.22 111.137 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.525 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -61.49 -57.51 24.62 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.615 0.721 . . . . 75.43 111.139 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.4 Cg_endo -69.79 -17.71 37.29 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.247 . . . . 72.05 112.363 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.6 mt -83.78 -55.07 4.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 74.15 110.912 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -60.24 -23.9 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 71.32 111.135 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -71.57 -23.75 77.65 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.72 -0.752 . . . . 72.31 112.516 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -78.06 -51.67 9.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 75.3 110.881 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -63.96 -19.05 64.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 72.54 110.904 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -64.93 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 72.31 110.873 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 36.1 mt -72.49 -25.02 61.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.261 -0.427 . . . . 74.14 110.886 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -52.0 -34.91 44.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 71.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 86.7 m -78.69 -30.8 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 71.35 111.138 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -38.25 72.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 75.32 110.902 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.67 -45.32 87.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 73.35 110.855 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -52.04 -31.58 30.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 72.22 110.871 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 92.8 t -54.54 -26.76 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 70.31 111.114 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -62.4 -19.95 63.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 73.44 110.88 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 7.2 m -54.81 -27.45 41.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 74.54 110.839 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.4 m -66.92 -56.56 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 63.43 110.81 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 24.6 pt -66.53 -24.1 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 73.41 111.126 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.9 tttm -70.77 -57.49 4.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 73.12 110.896 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 28.7 mt -61.4 -47.85 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 71.01 111.118 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.7 p -58.75 -22.54 58.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 72.51 111.133 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -60.02 -18.63 47.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 74.02 110.866 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -83.64 -25.47 30.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 74.2 110.9 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.76 -19.13 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 70.53 111.147 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.7 pp -63.09 -23.73 34.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 75.21 111.117 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.09 -31.77 32.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 74.11 110.884 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.93 -25.36 18.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 70.14 111.137 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -32.97 65.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.845 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -77.01 -46.79 22.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 73.51 110.864 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -56.92 -71.03 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 74.31 110.861 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 63.44 110.853 -179.799 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.802 0.334 . . . . 74.45 110.848 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.43 -47.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 72.4 111.1 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 32.1 mmt -80.24 -44.56 19.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 72.32 110.868 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.4 m -90.3 -18.96 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 64.51 111.096 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.46 -28.48 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 63.11 111.108 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.22 -23.43 62.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 62.12 110.887 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.37 -31.46 26.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 74.2 110.847 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.8 mm -56.05 -25.04 18.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 74.13 111.124 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.4 tp -51.98 -51.99 53.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 74.12 110.933 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -66.07 -18.8 65.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 73.12 110.898 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -76.99 -40.32 47.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 65.54 110.859 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.12 -27.78 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 74.32 111.136 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -80.83 -18.95 45.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 73.03 110.923 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -68.36 -53.55 23.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 74.44 110.844 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -41.29 71.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 74.14 110.905 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 80.4 mt -52.48 -35.53 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 63.44 111.174 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.2 m -81.0 -25.56 37.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 72.35 110.919 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.24 -54.15 6.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 75.45 110.863 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.9 tp -56.49 -24.54 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 75.24 111.108 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -80.33 -15.98 77.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 74.41 112.474 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.0 m -91.99 -23.5 19.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.755 0.312 . . . . 71.04 111.11 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -84.04 -41.04 17.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 72.52 110.882 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.5 m -62.23 -17.99 59.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 72.35 110.839 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.6 t -60.0 -20.81 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 73.12 111.117 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -87.76 -55.05 3.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 51.43 110.911 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.45 -25.91 18.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 72.31 111.126 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.01 -40.51 88.7 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.742 . . . . 73.03 112.507 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.44 -21.48 22.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.818 0.342 . . . . 73.41 110.892 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mp -78.89 -35.62 43.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 64.31 110.938 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mp -76.18 -50.3 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 73.25 111.088 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.9 -56.45 20.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 74.4 110.903 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mp -51.48 -36.33 43.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 72.04 110.864 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -57.24 -39.42 75.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 61.53 110.843 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -85.13 -41.54 15.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 63.4 110.955 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.76 -35.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 71.43 110.919 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.63 -28.2 14.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.716 -0.754 . . . . 62.4 112.466 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 52.18 -153.68 5.76 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 44.43 112.478 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.33 -114.72 0.3 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 73.1 112.521 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.14 -121.03 12.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 72.45 112.48 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.22 158.53 3.2 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.781 -0.724 . . . . 75.35 112.479 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.45 -164.93 28.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 74.33 112.476 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -9.93 27.3 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.274 . . . . 75.12 112.319 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 mt -73.36 -21.95 60.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.45 110.903 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -36.64 58.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 74.3 110.927 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -30.49 71.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 74.34 110.88 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.2 t -88.63 -27.92 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 74.43 111.122 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 38.7 t -80.8 -28.98 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 75.01 111.14 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.15 -24.89 23.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.884 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.8 p -88.62 -28.31 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 63.32 111.129 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.0 mm -91.15 -25.88 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 73.4 111.151 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.1 mm-40 -51.01 -60.16 6.15 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.667 0.746 . . . . 73.41 110.857 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.5 Cg_endo -69.78 -34.27 14.85 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.706 2.271 . . . . 74.34 112.336 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.1 m -63.91 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 63.11 110.916 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -56.92 -57.63 11.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 75.2 110.887 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.54 -25.74 39.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 75.33 110.905 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -85.06 -24.86 27.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 75.51 110.848 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.65 -39.38 61.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 73.51 110.84 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -76.25 -24.44 54.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 72.33 110.913 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.9 mt -72.87 -45.23 59.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 74.44 110.929 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.3 t -73.64 -7.49 52.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 54.23 111.154 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -106.39 -18.61 10.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 70.31 112.471 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -91.04 -22.14 20.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 75.53 110.887 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.4 t -89.19 -30.52 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 71.43 111.109 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -91.77 -2.06 57.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 73.04 110.87 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -102.92 -65.11 1.02 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.471 . . . . 74.23 110.897 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.3 mt -153.11 73.0 7.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.593 0.711 . . . . 75.02 110.873 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 129.22 17.21 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.723 2.282 . . . . 65.23 112.36 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -115.59 43.83 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 71.25 111.163 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 178.01 168.47 0.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 73.11 110.855 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 m -68.41 -12.35 61.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 74.54 110.86 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 169.41 42.07 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.744 -0.741 . . . . 70.34 112.502 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -51.97 -61.2 2.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.956 0.408 . . . . 74.31 110.908 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -81.07 -23.18 38.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 74.21 110.879 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.0 mtt -64.51 -48.16 76.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.415 . . . . 72.44 110.897 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.8 t -53.46 -27.9 27.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 71.43 111.135 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -70.0 -33.02 71.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 75.23 110.888 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.7 t -64.37 -25.88 68.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 72.3 110.845 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.7 tttt -77.3 -27.88 53.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 73.35 110.931 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.1 t -87.07 -17.96 31.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 64.04 110.852 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 84.3 t -76.4 -25.85 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 71.1 111.154 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 53.5 mt -86.01 -35.38 20.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 72.22 110.894 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.09 -34.51 43.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 75.44 110.853 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.4 t -81.4 -19.97 41.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 72.42 110.848 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.1 tp -71.49 -46.61 59.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 72.21 110.9 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.6 t -53.32 -27.57 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 64.34 111.13 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -42.4 62.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.21 -0.45 . . . . 50.33 110.889 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.64 -22.81 32.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 70.04 110.878 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.68 -22.85 53.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 74.11 110.878 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -83.0 -39.5 21.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 72.45 110.864 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.32 -12.33 60.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 75.41 110.909 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.73 -24.47 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 74.04 111.137 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.0 -20.24 14.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 74.02 111.116 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -86.87 -16.85 34.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 73.55 110.904 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 tp -93.0 -67.2 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 70.14 110.913 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.3 mp -137.91 74.38 44.37 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.716 . . . . 75.44 111.12 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 146.17 59.13 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.674 2.249 . . . . 63.35 112.371 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 60.7 p -127.18 -170.02 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 63.02 110.89 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 30.1 p -51.9 163.84 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 70.43 111.117 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 t -89.74 5.15 47.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 72.43 110.863 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 57.7 m -88.6 -32.01 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 71.53 110.879 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.41 -16.95 53.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 74.53 111.122 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.525 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -62.04 -57.58 22.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.626 0.727 . . . . 72.51 111.108 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.2 Cg_endo -69.72 -18.75 37.03 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.697 2.265 . . . . 74.3 112.36 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.42 -49.86 8.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 75.22 110.887 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.1 tt -56.79 -24.17 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 70.24 111.093 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -52.79 -27.18 27.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 54.04 112.477 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -75.93 -51.87 11.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.792 0.329 . . . . 75.21 110.914 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -69.28 -19.03 63.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 72.13 110.903 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.29 -64.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 75.03 110.916 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.71 -24.98 61.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 74.25 110.899 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -52.08 -55.32 21.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.847 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 97.2 m -63.53 -24.8 67.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 75.15 111.13 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -75.53 -41.12 55.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 72.3 110.864 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -62.22 -43.04 99.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 75.22 110.869 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -52.97 -33.74 52.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 75.23 110.879 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 28.1 t -54.86 -26.35 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 73.44 111.159 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.15 -19.98 62.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 74.25 110.934 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.0 m -57.88 -39.64 78.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 74.2 110.86 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -56.52 20.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 75.54 110.833 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 25.8 pt -66.24 -24.28 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 74.24 111.135 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -70.79 -55.08 9.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 73.52 110.904 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 22.8 mt -57.09 -38.74 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 74.13 111.138 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 20.4 p -78.45 -22.54 47.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 71.51 111.155 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.19 -18.42 48.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 75.45 110.873 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -84.74 -19.85 32.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 73.1 110.852 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.66 -25.7 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 70.31 111.122 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.67 -22.87 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 75.24 111.121 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -82.4 -25.39 33.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 75.52 110.87 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.08 -43.99 7.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 74.33 111.134 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -60.56 -39.38 87.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 71.22 110.869 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -64.58 -43.86 92.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 63.21 110.835 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 11.3 mtt-85 -51.98 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 75.01 110.859 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 71.34 110.823 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.8 0.333 . . . . 73.43 110.852 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.8 -47.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 71.45 111.085 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.19 -44.46 19.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 75.11 110.867 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.36 -18.96 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 74.12 111.107 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.42 -28.47 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 73.33 111.114 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -79.35 -19.77 49.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 73.44 110.859 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -81.2 -43.01 19.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 73.14 110.853 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.3 mt -56.63 -25.15 20.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 71.52 111.13 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.4 tp -55.68 -38.07 69.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.927 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -18.82 65.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 74.22 110.92 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.77 -40.65 47.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 75.22 110.939 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.1 -27.76 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 72.14 111.132 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -80.8 -19.02 45.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 75.11 110.872 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -67.52 -54.93 15.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 72.22 110.886 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -39.42 79.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 74.44 110.934 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.9 mt -51.69 -34.91 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 75.43 111.186 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.97 -55.6 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 72.33 110.902 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -56.55 13.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.896 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.2 tp -54.4 -26.96 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 72.34 111.145 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.4 -36.23 92.4 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 70.31 112.477 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.0 -20.97 20.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.771 0.32 . . . . 71.23 111.141 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -72.68 -39.57 66.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.863 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.34 -18.0 63.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 72.34 110.827 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.6 t -61.08 -20.51 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 72.22 111.181 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -86.26 -59.25 2.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 74.21 110.873 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.73 -22.63 24.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 75.53 111.146 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.06 -38.71 29.39 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.744 -0.741 . . . . 75.22 112.492 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.54 -23.38 23.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.811 0.339 . . . . 74.44 110.905 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mp -77.33 -39.16 48.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 71.5 110.88 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mp -74.13 -40.63 51.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 75.51 111.14 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -65.01 -58.67 5.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 75.43 110.878 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.6 mp -50.55 -35.8 31.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 73.32 110.942 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.9 t -58.65 -38.68 78.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 70.43 110.849 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -84.13 -40.13 18.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 72.53 110.892 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -179.57 -34.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 74.32 110.938 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.95 -23.74 33.01 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 62.05 112.512 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.79 -176.57 5.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 75.23 112.458 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -140.34 -110.52 0.87 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 64.41 112.499 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.58 -128.99 37.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 65.11 112.47 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.06 -179.83 0.42 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.685 -0.769 . . . . 24.33 112.461 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.49 179.92 51.51 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 73.54 112.447 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -10.87 29.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.643 2.229 . . . . 74.42 112.329 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.28 -21.96 45.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 74.3 110.913 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.57 -29.43 66.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 74.15 110.92 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -60.79 -62.06 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 74.43 110.895 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.73 -26.56 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 73.05 111.14 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 t -72.63 -32.97 43.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 74.23 111.096 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -89.16 -24.66 22.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.866 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.5 t -85.93 -44.94 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 74.53 111.129 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.5 mm -75.21 -22.56 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 73.51 111.097 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.479 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.1 mt-10 -51.89 -60.52 5.91 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.608 0.718 . . . . 74.32 110.893 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.9 Cg_endo -69.76 -25.92 28.11 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.676 2.251 . . . . 74.21 112.335 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -35.93 81.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.873 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -58.99 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.876 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -55.72 -25.55 40.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 75.32 110.901 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -83.41 -24.79 31.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 73.3 110.92 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.09 -42.86 95.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 74.11 110.83 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -64.15 -28.47 69.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 75.32 110.898 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.6 mt -66.67 -38.04 85.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 70.35 110.919 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.4 p -62.91 -16.25 58.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 65.13 111.122 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.06 -13.47 36.57 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 72.2 112.49 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.1 tp -91.03 -11.99 37.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.8 0.334 . . . . 74.12 110.906 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -95.04 -31.8 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 65.35 111.105 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -96.34 1.02 51.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 73.42 110.879 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -126.88 -48.08 1.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 75.43 110.882 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 26.9 tp -117.65 68.31 5.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.65 0.738 . . . . 73.02 110.924 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 129.19 17.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.713 2.275 . . . . 75.53 112.35 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.5 m -109.67 -16.65 13.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 74.33 111.095 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -177.91 -171.24 0.28 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 71.21 110.883 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.81 -16.81 59.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.907 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.0 39.16 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.782 -0.723 . . . . 71.31 112.526 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.67 -58.35 5.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 74.43 110.924 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -69.33 -29.78 67.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 75.14 110.886 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 11.0 mtt -72.16 -58.27 3.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 71.44 110.899 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.4 t -56.71 -26.46 56.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 64.12 111.117 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -78.18 -22.05 49.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 72.24 110.869 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.0 m -84.99 -25.89 27.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 74.35 110.86 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -66.54 -35.72 80.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 71.43 110.892 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.14 -18.03 59.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 60.54 110.862 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.3 t -84.36 -23.28 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 75.14 111.108 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.6 mt -69.42 -35.74 76.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 71.41 110.936 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -79.03 -34.56 43.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 64.21 110.878 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.3 t -81.22 -20.04 41.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 72.24 110.873 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.1 tp -71.54 -46.13 60.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 74.23 110.944 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.1 t -53.79 -27.26 28.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.31 111.138 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -54.78 -30.79 57.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 73.52 110.909 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.58 -23.08 32.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 71.34 110.863 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.03 -40.75 19.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 73.11 110.893 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -62.76 -23.97 67.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 72.31 110.903 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -9.91 59.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 75.32 110.914 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -50.18 -25.21 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 64.02 111.158 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.1 t -58.27 -19.69 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 73.33 111.113 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -87.35 -14.93 39.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 75.13 110.863 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -110.55 -68.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.25 110.891 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.2 mm -122.42 72.83 39.44 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 74.05 111.074 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 116.54 4.61 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.718 2.279 . . . . 74.32 112.288 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.0 t -105.66 -170.18 1.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 62.53 110.863 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 33.5 p -52.6 138.3 28.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 73.3 111.109 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.55 -8.6 56.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 63.44 110.821 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.3 m -79.56 -31.5 41.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 70.04 110.856 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.92 -17.01 54.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 74.51 111.057 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.529 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -54.69 -57.56 18.49 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.611 0.719 . . . . 75.33 111.105 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.76 -31.76 19.88 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.65 2.233 . . . . 74.54 112.36 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -59.26 3.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 74.5 110.974 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.1 tp -56.14 -24.97 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 74.42 111.099 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.33 -21.04 46.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.727 . . . . 72.12 112.449 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -43.75 25.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 75.04 110.9 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -68.12 -21.69 64.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 72.24 110.906 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 12.3 mtp -68.18 -53.49 24.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 70.31 110.886 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 19.8 mt -56.36 -25.03 47.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 74.03 110.891 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -52.0 -30.17 24.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.852 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 3.2 m -80.0 -34.36 38.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 71.2 111.16 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.09 -28.1 57.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 74.55 110.871 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -85.48 -17.28 36.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 73.32 110.893 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.55 -44.05 62.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 75.42 110.869 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.19 -23.67 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 73.22 111.113 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -60.52 -20.19 59.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 75.25 110.852 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.5 t -69.68 -20.76 63.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 72.13 110.893 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.43 -55.94 6.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 73.03 110.879 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 28.5 pt -57.36 -25.08 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 72.32 111.095 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -78.13 -33.84 50.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 74.53 110.889 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 64.8 mt -76.45 -54.69 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 64.11 111.149 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.0 p -59.6 -22.49 61.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 72.31 111.165 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.18 -18.45 48.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 75.4 110.904 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.71 -19.85 32.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 74.35 110.89 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.67 -25.73 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 71.45 111.122 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.6 -22.94 14.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 73.42 111.107 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.37 -25.34 33.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.11 110.92 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.06 -44.02 7.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 72.52 111.163 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -60.36 -40.65 91.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 73.54 110.854 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -63.3 -43.05 98.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 74.53 110.871 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 12.3 mtt-85 -52.01 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 72.32 110.866 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 74.22 110.878 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.791 0.329 . . . . 74.24 110.841 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.22 -47.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 73.43 111.088 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 28.4 mmt -80.2 -44.51 19.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 74.14 110.905 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 t -90.29 -18.94 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 75.22 111.141 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.42 -28.46 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 74.24 111.145 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -72.37 -18.27 61.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 73.43 110.846 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -83.47 -47.48 11.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 72.25 110.81 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.0 mt -56.16 -24.98 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 73.54 111.109 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 tp -51.94 -51.46 56.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 75.55 110.883 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -65.38 -18.86 65.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.883 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.73 -40.26 49.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 73.31 110.95 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.16 -27.7 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 74.33 111.149 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -80.89 -18.97 45.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 64.45 110.901 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -68.32 -56.55 8.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 72.34 110.823 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -51.53 -41.05 60.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 73.23 110.934 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 68.0 mt -54.19 -34.76 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 72.22 111.157 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -25.72 61.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 65.21 110.911 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.99 -46.54 11.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 74.21 110.934 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.6 tp -56.48 -24.52 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 71.41 111.142 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.81 -41.7 93.44 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.771 -0.728 . . . . 54.43 112.478 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -27.66 28.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.754 0.311 . . . . 75.33 111.175 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -70.83 -38.84 73.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.9 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.6 p -82.04 -17.97 44.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 73.03 110.839 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.8 t -73.83 -20.76 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.22 111.091 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -87.6 -55.41 3.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 65.13 110.877 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.76 -25.93 21.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 75.42 111.102 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.5 -41.02 90.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 72.44 112.529 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.66 -21.84 22.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 75.12 110.891 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mp -77.89 -35.05 51.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.919 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mp -77.34 -52.41 16.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 73.11 111.088 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -54.75 -51.36 65.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 74.02 110.849 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.0 mp -50.87 -35.42 32.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 73.55 110.879 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 m -82.91 -29.6 29.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 72.23 110.864 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.486 HE22 ' N ' ' A' ' 108' ' ' ALA . 6.8 mm-40 -60.03 97.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 72.12 110.938 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -140.89 12.35 2.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 74.23 110.891 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.97 -25.56 55.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 73.43 112.504 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -131.41 -88.23 0.44 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 64.22 112.459 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 153.19 140.93 3.17 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.706 -0.759 . . . . 53.41 112.473 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.78 -169.28 38.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.711 -0.757 . . . . 73.43 112.458 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.35 -174.34 0.47 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 74.4 112.46 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -98.89 -165.05 30.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.717 -0.754 . . . . 73.13 112.481 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -9.98 27.42 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.708 2.272 . . . . 72.22 112.298 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mt -73.64 -29.67 62.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 75.54 110.932 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -35.47 77.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 74.13 110.891 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -64.62 -46.27 83.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 71.24 110.933 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.3 t -76.67 -29.38 18.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 71.53 111.172 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.0 t -76.18 -31.57 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 75.04 111.091 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.411 ' N ' HD21 ' A' ' 55' ' ' ASN . 1.6 m-80 -88.66 -24.89 22.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 72.02 110.883 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.6 t -86.06 -44.5 16.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 73.14 111.169 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.4 mm -75.31 -22.89 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 71.14 111.124 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.473 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.77 -60.46 5.96 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.67 0.748 . . . . 75.53 110.897 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.7 Cg_endo -69.8 -25.5 28.35 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.692 2.261 . . . . 73.34 112.354 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -33.17 75.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.32 110.904 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -55.76 -58.45 7.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.918 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -25.48 40.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 74.23 110.883 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -84.14 -24.93 30.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 74.33 110.893 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -40.26 69.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 64.4 110.877 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -68.92 -25.97 64.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 74.2 110.917 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 61.2 mt -70.12 -39.28 75.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 75.2 110.935 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.7 m -62.61 -17.65 60.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 73.33 111.163 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.11 -13.17 40.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.792 -0.718 . . . . 72.12 112.504 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.7 tp -91.01 -9.44 45.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.369 . . . . 71.5 110.914 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -94.98 -31.67 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 73.14 111.149 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -98.05 1.03 47.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 74.44 110.887 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -123.09 -58.61 1.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 72.31 110.908 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.2 tp -113.74 73.57 2.23 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.631 0.729 . . . . 75.22 110.909 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 129.06 16.95 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 72.54 112.334 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 49.0 m -100.63 -17.17 17.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 71.2 111.158 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -178.02 -170.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 74.01 110.862 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.5 t -62.98 -16.62 60.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 75.03 110.87 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.76 38.99 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 74.23 112.493 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.84 -69.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.946 0.403 . . . . 70.52 110.875 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -54.56 -26.94 35.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 73.55 110.929 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.4 mtt -78.16 -61.05 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 72.44 110.858 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 t -58.39 -26.25 63.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 73.32 111.14 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -77.49 -30.91 53.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 72.34 110.887 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 54.2 m -85.1 -25.69 27.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 71.4 110.847 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -65.41 -28.61 69.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 74.21 110.897 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.41 -18.06 62.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 73.51 110.833 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.8 t -79.91 -22.99 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 75.03 111.135 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.8 mt -68.71 -36.1 78.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 74.14 110.929 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.8 ttmm -79.32 -34.39 42.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 74.51 110.869 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -81.19 -19.96 42.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 75.53 110.844 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.1 tp -70.96 -46.04 63.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 72.41 110.9 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.8 t -53.57 -27.46 26.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 75.54 111.16 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -51.95 -39.6 59.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.905 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.7 -22.93 31.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 72.53 110.843 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.05 -41.1 62.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 70.22 110.936 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -64.32 -29.04 70.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 75.04 110.898 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -12.49 61.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 71.13 110.909 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.84 -24.31 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 75.51 111.115 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.25 -20.0 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 70.05 111.129 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.59 -15.75 36.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 75.21 110.9 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.96 -66.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 74.52 110.898 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -143.21 73.96 17.72 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.71 . . . . 73.24 111.103 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 79.07 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.722 2.281 . . . . 65.2 112.345 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.04 -74.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 74.51 110.861 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -155.41 176.99 11.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 74.13 111.157 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 34.2 m -88.26 7.41 32.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 54.43 110.833 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.4 m -83.1 -46.37 12.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 73.4 110.858 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.486 ' N ' HE22 ' A' ' 41' ' ' GLN . . . -79.84 -17.01 54.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 74.31 111.112 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.52 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -53.4 -57.52 16.6 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.62 0.724 . . . . 75.33 111.146 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.9 Cg_endo -69.75 -33.46 16.59 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.677 2.251 . . . . 74.43 112.321 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -51.95 -59.65 4.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 73.04 110.909 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 7.2 tt -56.12 -24.99 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 73.31 111.102 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -67.89 -32.76 78.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.72 . . . . 73.44 112.489 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -71.79 -46.56 57.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 74.13 110.915 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -77.8 -18.97 55.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 74.12 110.917 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -64.97 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 74.53 110.879 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.0 tt -60.66 -25.02 66.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 75.11 110.913 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -52.03 -30.31 24.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 71.11 110.881 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.1 m -87.05 -27.86 22.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 73.45 111.155 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.65 -44.8 66.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 72.43 110.881 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.09 -31.96 73.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 73.5 110.905 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -63.97 -25.99 68.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 75.25 110.884 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 12.3 t -68.2 -23.03 28.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 70.41 111.074 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.81 -20.03 65.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 72.14 110.906 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.9 m -75.22 -19.96 59.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 74.44 110.844 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.7 m -63.27 -40.49 97.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 43.15 110.814 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 1.7 mp -83.99 -24.8 7.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 75.55 111.09 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -46.91 31.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.896 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.4 tp -57.24 -28.14 29.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 75.41 111.163 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -22.55 55.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 72.12 111.155 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -60.02 -18.65 47.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 74.44 110.889 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.99 -31.91 25.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 75.41 110.909 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -19.97 19.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.495 . . . . 74.44 111.179 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.6 pp -61.18 -23.6 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 72.12 111.139 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -56.59 -33.88 66.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.885 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.17 -31.46 19.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 74.25 111.157 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -66.33 -33.47 75.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 72.3 110.864 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -76.77 -51.17 11.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.4 110.838 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -53.57 -69.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 64.44 110.843 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 74.3 110.872 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.842 0.353 . . . . 72.05 110.816 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.58 -47.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 75.3 111.098 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -44.55 19.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 72.43 110.806 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 t -90.27 -18.95 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 65.25 111.118 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.49 -28.4 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 75.21 111.123 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -74.27 -20.51 60.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 53.43 110.851 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -83.05 -46.21 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.875 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.0 mt -56.25 -24.96 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 73.45 111.136 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.93 -54.1 33.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 71.53 110.933 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -61.61 -18.9 61.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.14 110.907 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 t -77.57 -38.53 48.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 74.41 110.895 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.14 -28.22 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 74.32 111.092 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.93 -18.97 45.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 72.45 110.874 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -71.52 -58.02 3.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.882 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -51.49 -41.37 60.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 72.45 110.935 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 59.7 mt -54.1 -34.98 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 75.52 111.129 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.2 m -81.02 -20.99 40.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 71.41 110.892 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -84.32 -59.04 2.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.872 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.2 tp -71.87 -19.99 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 74.41 111.174 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -78.65 -31.04 46.39 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 71.03 112.482 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 t -91.99 -21.0 20.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.732 0.301 . . . . 73.44 111.155 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -68.55 -32.8 73.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 65.44 110.9 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.99 -25.39 34.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 72.12 110.861 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.1 t -70.72 -20.51 22.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 73.14 111.101 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -87.33 -55.6 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 73.21 110.881 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.24 -26.05 16.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 73.23 111.081 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.62 -39.79 90.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 63.1 112.478 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.92 -23.35 22.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.341 . . . . 65.21 110.842 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -77.75 -35.5 51.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.93 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mp -75.83 -50.35 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 75.24 111.134 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -55.8 -57.09 13.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 65.54 110.916 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.1 mp -51.47 -36.59 45.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 75.12 110.896 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -56.36 -38.31 71.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 72.35 110.874 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -85.15 -39.88 17.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 62.14 110.888 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -179.45 -34.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 72.02 110.884 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.39 -26.27 16.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 71.25 112.465 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.61 -155.24 44.87 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.712 -0.756 . . . . 74.45 112.524 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -155.25 157.17 27.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 70.24 112.535 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.57 106.05 1.3 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 73.05 112.504 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.66 138.17 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 35.54 112.5 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.4 -165.39 26.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 72.13 112.5 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -9.38 25.96 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.676 2.251 . . . . 74.25 112.328 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mt -75.72 -40.28 55.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.934 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.8 -36.14 79.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 73.52 110.883 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -64.24 -43.48 94.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 73.21 110.885 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.2 t -78.9 -29.24 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 70.33 111.104 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 t -76.58 -30.97 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 74.21 111.153 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -88.7 -24.66 22.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 74.34 110.934 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.8 t -86.71 -44.27 16.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 75.33 111.153 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.4 mm -75.03 -23.35 17.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 71.01 111.105 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.475 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.8 mt-10 -51.97 -60.57 5.84 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.624 0.726 . . . . 73.33 110.864 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 54.0 Cg_endo -69.78 -23.8 30.32 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.707 2.271 . . . . 73.34 112.338 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -33.91 76.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 74.5 110.879 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -52.19 -57.83 8.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 73.14 110.855 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -25.38 41.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 73.52 110.918 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.05 -24.82 30.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 64.43 110.867 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.48 -39.59 67.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 74.2 110.827 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -65.3 -25.95 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 74.42 110.893 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.1 mt -67.9 -34.41 76.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 71.43 110.944 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.2 m -62.69 -19.37 63.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 70.14 111.151 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.2 -13.6 38.64 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.744 . . . . 65.03 112.515 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.9 tp -91.09 -9.31 46.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 73.23 110.881 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.99 -31.75 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 74.32 111.122 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -98.02 1.05 47.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.859 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -123.02 -58.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 71.52 110.956 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tt -113.78 73.6 2.27 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.661 0.743 . . . . 73.3 110.901 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 129.14 17.11 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.705 2.27 . . . . 73.14 112.327 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.2 m -103.41 -15.89 15.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 74.2 111.118 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -177.99 -170.71 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 74.2 110.881 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.24 -16.52 60.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 61.25 110.854 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.07 38.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.684 -0.769 . . . . 74.23 112.471 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.9 -55.01 16.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 73.5 110.923 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -77.11 -19.97 56.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 75.11 110.881 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.2 mtt -80.08 -51.64 8.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 64.03 110.883 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.6 t -56.27 -27.23 54.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 72.13 111.138 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -85.31 -19.91 30.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 75.12 110.884 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 75.3 m -82.84 -26.54 31.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 54.12 110.845 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.83 -37.8 39.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 75.25 110.901 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -17.93 59.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 73.31 110.858 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.31 -35.06 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 72.54 111.111 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 80.3 mt -86.06 -33.14 21.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 73.13 110.928 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -74.22 -37.81 63.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.5 110.921 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.6 t -81.1 -19.91 42.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.875 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 tp -77.52 -48.75 16.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 74.4 110.904 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.8 t -53.72 -27.54 28.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 74.23 111.114 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.84 -38.49 56.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 75.51 110.9 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.62 -22.94 32.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 74.54 110.874 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.5 tp -78.57 -22.95 46.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 72.54 110.912 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -66.33 -31.65 72.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 73.03 110.925 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -12.52 61.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 75.34 110.842 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -52.17 -24.41 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 71.32 111.141 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.7 p -58.59 -19.81 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.45 111.128 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -88.45 -13.95 39.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 65.13 110.93 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.3 mp -111.34 -69.61 0.86 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 65.22 110.856 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.0 mm -121.62 71.97 28.94 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.636 0.732 . . . . 74.01 111.089 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -170.9 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 74.2 112.332 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.0 p -128.16 -170.02 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 65.01 110.887 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 60.8 p -86.47 -178.49 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 75.15 111.129 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.69 -7.32 59.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 64.53 110.834 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.05 -31.94 8.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 75.33 110.833 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.6 -17.0 52.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 74.11 111.064 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.532 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -56.49 -57.56 22.5 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.645 0.736 . . . . 75.44 111.091 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.1 Cg_endo -69.81 -23.82 30.17 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.26 . . . . 63.03 112.364 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.33 -60.05 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 74.45 110.9 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 10.6 tp -66.41 -25.87 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 75.23 111.141 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.95 -26.12 69.91 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.706 -0.759 . . . . 73.43 112.482 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -84.52 -45.77 12.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.79 0.329 . . . . 71.22 110.877 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -57.24 -42.71 82.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 73.53 110.94 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -63.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 73.55 110.892 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.4 tp -61.67 -26.4 67.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 73.13 110.896 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -52.1 -60.89 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 63.25 110.884 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 54.9 m -58.84 -45.17 90.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.51 111.088 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.27 -32.36 66.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 72.04 110.87 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.74 -23.58 56.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 75.44 110.926 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -80.95 -24.47 38.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 72.22 110.894 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.1 t -58.47 -23.13 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 74.23 111.149 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -69.19 -23.07 63.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 75.15 110.882 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.9 -27.88 46.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 74.52 110.88 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.1 m -58.92 -40.68 85.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 71.44 110.89 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 1.8 mp -83.86 -38.76 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 71.42 111.105 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -50.44 63.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.904 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 23.3 mt -60.72 -55.28 25.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 73.52 111.108 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.08 -22.53 50.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 63.21 111.121 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -59.98 -18.62 47.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 73.5 110.94 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.0 -28.44 27.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 71.22 110.868 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.82 -19.53 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 72.41 111.122 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.6 pp -62.84 -23.17 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 75.14 111.157 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.13 -32.01 33.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 71.33 110.888 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.48 -36.69 11.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 70.31 111.151 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -20.21 66.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.34 110.846 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -87.12 -46.23 9.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.872 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -54.55 -73.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 75.33 110.852 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 74.32 110.87 -179.808 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.793 0.33 . . . . 74.31 110.832 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.89 -47.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 70.21 111.096 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 29.5 mmt -80.08 -44.51 19.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 72.21 110.918 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.7 t -90.31 -18.98 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 73.22 111.119 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.43 -28.52 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 73.13 111.138 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -74.18 -18.51 60.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 75.24 110.89 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -81.4 -44.39 17.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 64.22 110.865 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.2 mt -53.14 -28.9 15.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 75.44 111.113 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -41.49 74.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 71.44 110.889 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -66.67 -18.87 65.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 71.45 110.861 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 t -76.72 -40.79 47.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 73.35 110.874 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.11 -27.8 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 71.44 111.124 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -80.79 -18.97 45.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 64.34 110.891 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -67.05 -48.58 67.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 74.25 110.892 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -39.31 75.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 73.23 110.878 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 85.1 mt -53.42 -35.13 24.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 72.24 111.127 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.7 m -80.84 -53.14 6.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 74.04 110.903 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -54.31 -58.13 8.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 60.34 110.934 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.94 -22.78 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 73.01 111.167 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.32 -25.22 74.93 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.774 -0.727 . . . . 73.4 112.489 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.9 p -92.04 -22.77 19.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.746 0.308 . . . . 72.31 111.152 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -72.58 -37.73 68.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 73.45 110.824 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -18.31 65.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 63.32 110.839 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.7 t -59.93 -20.79 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 74.43 111.133 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.7 -55.12 3.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 73.32 110.869 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.5 -25.97 18.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 74.14 111.057 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.87 -40.55 89.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 52.34 112.501 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.4 -21.59 22.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.364 . . . . 73.21 110.902 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 mp -78.86 -35.56 43.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.882 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mp -76.3 -50.43 22.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 73.2 111.128 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -55.72 -56.31 21.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.891 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mp -51.39 -36.66 44.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.878 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 t -57.13 -39.1 74.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 54.44 110.825 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -85.14 -40.65 16.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 73.55 110.944 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -179.45 -34.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 64.44 110.905 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.22 -27.4 17.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 71.43 112.481 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.47 60.51 0.34 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.746 -0.74 . . . . 71.45 112.487 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.92 -115.18 3.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 63.15 112.507 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.57 95.49 0.15 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.722 . . . . 71.44 112.471 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.18 -140.83 26.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.679 -0.772 . . . . 71.14 112.52 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -97.98 179.13 32.46 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 72.52 112.497 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -10.89 29.66 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.669 2.246 . . . . 64.23 112.344 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.81 -21.97 46.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 64.45 110.925 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -32.99 74.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 74.13 110.897 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -66.71 -35.53 80.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 75.23 110.891 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -85.77 -25.96 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 73.32 111.088 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.2 t -82.9 -28.18 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 75.52 111.128 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -89.36 -24.75 21.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.872 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.1 p -88.5 -28.35 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 75.51 111.159 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 35.1 mm -91.3 -25.76 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 74.22 111.143 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -50.95 -60.31 5.83 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.662 0.744 . . . . 74.45 110.88 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.6 Cg_endo -69.7 -34.45 14.74 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 73.03 112.374 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.3 m -63.81 -30.3 71.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 61.44 110.874 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -56.97 -57.64 11.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 73.12 110.915 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -55.47 -25.96 39.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 64.33 110.907 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -84.76 -24.95 28.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.88 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.3 m -60.2 -44.03 95.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 72.53 110.848 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.18 -29.4 70.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 72.34 110.89 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.8 mt -64.12 -31.98 73.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 74.21 110.912 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.0 m -62.54 -20.74 64.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 70.12 111.145 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -97.27 -12.59 48.23 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.757 -0.735 . . . . 72.51 112.445 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.2 tp -89.63 -17.29 28.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 73.41 110.919 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -86.79 -32.1 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 72.11 111.136 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -90.08 -7.16 54.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 74.23 110.911 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -93.42 -68.45 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 71.54 110.935 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.11 74.39 21.34 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.639 0.733 . . . . 70.31 110.96 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 129.03 16.89 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.692 2.261 . . . . 63.32 112.319 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.5 m -71.91 -9.26 58.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 62.33 111.128 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -177.86 -169.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 74.02 110.845 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.48 -17.84 56.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 71.23 110.874 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.27 38.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 65.53 112.504 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -70.38 -35.06 73.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.922 0.391 . . . . 74.14 110.906 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -81.08 -33.81 33.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 72.24 110.893 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.6 mtm -77.22 -47.45 20.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 72.44 110.927 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.9 t -53.25 -29.66 33.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 73.52 111.149 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -81.62 -29.21 33.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 73.41 110.849 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.6 m -77.98 -26.6 48.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 51.12 110.885 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -63.07 -19.99 64.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 74.53 110.916 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.94 -17.92 48.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 65.01 110.86 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.5 t -74.13 -25.56 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 65.43 111.104 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.3 mt -68.62 -35.65 77.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 73.45 110.903 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.89 -35.26 51.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.879 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.2 m -81.32 -19.99 41.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 75.15 110.851 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.2 tp -72.88 -46.91 50.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 72.42 110.94 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.3 t -53.7 -27.51 28.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 72.45 111.104 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -35.87 60.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 61.32 110.918 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.56 -23.01 32.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.506 . . . . 73.32 110.925 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.0 tp -78.77 -38.48 38.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 74.2 110.943 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -65.53 -29.91 70.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.856 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.69 -12.37 61.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.918 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.65 -24.52 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 74.34 111.14 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.4 t -58.03 -20.28 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 63.25 111.154 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -88.24 -15.94 34.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 70.35 110.894 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.51 -67.35 0.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 74.05 110.901 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -144.61 74.22 15.19 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.599 0.714 . . . . 74.22 111.132 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 78.67 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.64 2.227 . . . . 73.34 112.352 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.93 -74.46 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 72.24 110.871 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.34 100.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 75.2 111.164 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.0 m -98.25 -33.86 10.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 73.02 110.823 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.33 -31.44 54.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 72.02 110.871 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.36 -17.0 53.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 75.23 111.099 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.52 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -51.75 -57.53 14.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.592 0.711 . . . . 73.21 111.113 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.4 Cg_endo -69.81 -14.56 36.1 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.681 2.254 . . . . 73.34 112.283 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.05 -42.44 16.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 63.53 110.886 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -56.44 -24.58 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 73.22 111.138 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -52.18 -27.86 24.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.757 . . . . 72.12 112.551 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -37.69 66.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 75.4 110.922 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -83.04 -26.01 31.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 75.55 110.958 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.54 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 74.42 110.865 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.96 -25.08 57.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 62.24 110.899 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.05 -30.33 59.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.887 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 91.6 m -77.33 -24.87 50.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 70.22 111.181 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -81.97 -49.47 10.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.898 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -58.44 -41.04 84.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 75.22 110.885 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -57.54 -31.77 66.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 73.25 110.859 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 46.9 t -56.34 -24.65 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 75.02 111.117 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -67.21 -19.98 65.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.869 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 43.3 m -63.87 -35.18 79.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.866 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.0 m -66.91 -55.36 14.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 74.22 110.881 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 28.6 pt -65.15 -24.31 35.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.494 . . . . 75.21 111.155 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -74.1 -54.15 8.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 72.42 110.901 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 17.2 mt -58.72 -48.66 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 72.13 111.109 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 31.9 p -61.0 -22.51 64.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 73.32 111.137 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.22 -18.35 47.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 73.12 110.919 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -84.72 -19.91 31.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 75.33 110.899 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.58 -25.67 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 72.21 111.16 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.78 -22.88 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 73.4 111.122 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.86 -24.66 33.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.868 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.07 -43.98 7.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 64.53 111.15 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -60.94 -30.58 70.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 74.33 110.89 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -76.09 -52.05 10.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 64.51 110.881 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -52.0 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 75.01 110.92 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 74.1 110.903 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 41.1 m170 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.832 0.349 . . . . 73.03 110.85 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.61 -50.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 74.34 111.077 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.1 mmm -78.11 -43.88 27.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.868 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -90.21 -19.15 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 74.13 111.14 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.3 -28.42 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 72.43 111.097 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -78.49 -20.05 51.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 71.32 110.872 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.24 -33.3 56.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 71.42 110.866 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.3 mm -65.4 -25.4 36.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 63.04 111.135 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 tt -54.71 -44.82 73.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 74.12 110.9 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -66.78 -18.73 65.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.911 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.79 -40.8 46.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 75.2 110.867 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.13 -27.8 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 65.44 111.098 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -80.79 -19.03 45.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.849 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -67.02 -53.38 31.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 70.45 110.875 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -35.15 79.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 70.31 110.923 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.5 mt -53.89 -33.49 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 73.33 111.145 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.03 -24.7 37.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 70.33 110.871 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.63 -48.17 14.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.889 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -23.35 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 74.12 111.113 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.94 -26.87 47.83 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 65.05 112.484 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.43 -21.72 20.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 74.44 111.182 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -84.15 -31.8 25.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 72.21 110.873 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 t -69.24 -18.16 63.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.849 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.7 t -69.46 -20.46 24.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 73.13 111.134 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -86.2 -59.2 2.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 74.13 110.886 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.3 -21.58 24.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 64.33 111.06 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -79.58 -37.95 22.13 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.764 -0.731 . . . . 72.54 112.522 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.7 -25.16 23.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.339 . . . . 71.35 110.864 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 mp -77.85 -40.17 41.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 75.45 110.901 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 21.5 mm -75.17 -54.0 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 62.1 111.145 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -50.89 -54.88 20.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 75.24 110.904 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.1 mp -49.94 -37.27 31.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 74.41 110.941 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -42.23 98.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 75.3 110.865 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -75.87 -41.54 51.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.936 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -177.7 -35.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 75.3 110.885 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.64 2.46 90.53 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 74.22 112.449 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.2 153.69 7.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 74.4 112.511 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.32 138.55 2.56 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 73.51 112.498 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.24 -87.79 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 71.12 112.441 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.83 -133.82 0.1 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 72.33 112.464 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -97.86 -178.55 33.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.799 -0.715 . . . . 73.51 112.481 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -10.86 29.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.703 2.269 . . . . 72.22 112.322 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.4 -21.94 41.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 74.12 110.923 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.94 -30.83 26.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 73.02 110.925 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -65.51 -46.22 80.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 65.3 110.877 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.75 -26.09 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 74.01 111.145 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.7 t -79.5 -31.18 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 73.32 111.14 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -89.11 -24.79 22.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 73.23 110.892 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.1 t -85.71 -44.97 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 73.41 111.115 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.5 mt -75.16 -22.8 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 72.22 111.156 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.48 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.8 mt-10 -51.48 -60.49 5.76 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.604 0.716 . . . . 75.01 110.857 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 54.0 Cg_endo -69.77 -32.63 18.17 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.683 2.255 . . . . 73.42 112.308 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 63.2 m -64.28 -30.04 71.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 75.42 110.902 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -58.56 7.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.873 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -25.8 40.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 73.45 110.886 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.18 -24.86 29.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 74.43 110.897 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.02 -38.6 62.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 74.34 110.838 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -56.78 -26.78 58.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 72.55 110.875 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.0 mt -67.13 -34.91 78.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 73.53 110.914 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.5 m -62.65 -19.24 63.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 73.03 111.175 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.44 -14.45 32.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.7 -0.762 . . . . 63.2 112.461 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.0 tp -91.06 -8.87 47.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.853 0.359 . . . . 75.32 110.913 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -95.08 -31.67 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 71.41 111.103 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -98.44 1.1 46.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 75.1 110.88 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -123.12 -58.19 1.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 73.21 110.91 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.9 tp -113.93 73.04 2.26 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.604 0.716 . . . . 73.14 110.896 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 129.12 17.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 71.23 112.376 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.7 m -103.06 -14.52 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 72.44 111.145 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -177.97 -171.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 74.51 110.877 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -16.78 60.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 73.23 110.839 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.02 39.18 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.754 -0.736 . . . . 71.51 112.497 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -66.65 -64.94 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.935 0.398 . . . . 75.44 110.852 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -64.58 -21.1 66.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 71.14 110.887 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 17.0 mtt -78.96 -60.34 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 73.12 110.87 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.2 t -56.77 -27.66 59.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 64.42 111.148 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -75.71 -20.67 58.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 74.24 110.903 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 p -83.76 -26.28 29.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 72.31 110.876 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -64.72 -44.62 89.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 74.1 110.899 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -17.92 59.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 63.14 110.875 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.6 t -77.73 -23.01 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 71.32 111.158 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.2 mt -85.21 -34.02 22.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 74.02 110.873 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.14 -34.31 49.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 73.32 110.912 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 70.1 m -82.52 -20.0 37.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 73.22 110.858 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.8 tp -74.78 -47.85 28.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 74.2 110.881 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.4 t -53.29 -27.65 24.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 63.32 111.12 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.21 -35.11 59.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 71.13 110.95 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.6 -23.0 32.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 74.35 110.905 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.5 tp -81.95 -26.16 34.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 74.52 110.945 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -67.35 -31.8 72.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 63.41 110.861 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -12.66 61.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 72.23 110.873 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.97 -24.58 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 75.22 111.121 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 26.9 t -57.56 -21.14 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 74.34 111.11 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -87.35 -18.82 29.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 71.51 110.866 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.47 -69.33 0.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.912 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.8 mp -138.39 74.07 41.79 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.732 . . . . 75.24 111.121 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 88.09 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.675 2.25 . . . . 62.34 112.337 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.6 p -52.85 -73.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 73.04 110.805 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 67.9 p -142.85 154.92 44.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 72.33 111.125 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.0 m -88.22 -13.33 41.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 73.34 110.886 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 70.7 m -75.94 -33.34 59.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 70.42 110.864 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.14 -17.95 48.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 64.13 111.098 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.517 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -52.52 -57.62 14.97 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.721 . . . . 71.43 111.104 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.2 Cg_endo -69.73 -13.51 34.86 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.661 2.241 . . . . 63.32 112.359 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.32 -43.33 16.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 74.53 110.921 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.25 -24.52 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 74.22 111.129 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -59.37 -20.86 52.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 72.2 112.488 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -83.57 -47.02 11.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 74.14 110.927 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -69.26 -42.15 75.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 75.22 110.909 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 15.1 mtm -58.8 -49.58 77.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 64.41 110.854 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.96 -25.8 67.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 63.54 110.894 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -52.04 -47.03 65.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 72.52 110.869 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 48.5 m -70.56 -26.63 63.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 71.54 111.178 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -74.01 -36.78 64.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 75.43 110.911 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.97 -32.61 65.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 74.13 110.861 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -66.23 -27.8 68.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 75.05 110.886 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 44.1 t -58.93 -26.61 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 75.24 111.108 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.36 -20.6 65.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 72.44 110.905 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.1 t -57.4 -24.29 54.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 64.55 110.926 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 67.7 m -60.41 -49.21 78.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 64.51 110.849 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 38.6 pt -78.73 -27.23 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 74.43 111.156 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -71.09 -40.88 71.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 72.12 110.921 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 26.8 mt -72.45 -51.4 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.55 111.106 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 72.8 p -60.13 -22.59 63.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 71.21 111.126 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -60.02 -18.61 47.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 75.22 110.9 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -29.04 27.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.881 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.54 -19.69 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 73.22 111.131 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.7 pp -62.51 -23.13 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 74.21 111.128 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -52.38 -31.28 33.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.921 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.67 -36.33 14.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 72.41 111.159 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.65 -15.21 62.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 72.04 110.873 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -92.08 -44.46 8.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 65.21 110.829 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.94 -74.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 75.14 110.86 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 72.34 110.846 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.778 0.323 . . . . 75.54 110.884 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.85 142.78 49.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 74.11 111.127 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -106.02 -73.69 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 71.53 110.878 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -77.92 -31.24 51.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.01 110.841 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -54.18 104.63 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 75.52 110.844 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -103.03 -26.72 12.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 75.12 110.867 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -68.97 155.07 40.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 74.14 110.825 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -141.83 109.53 5.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 73.32 110.842 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.15 -47.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 71.34 111.088 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 21.1 mmt -80.13 -44.49 19.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 74.32 110.916 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.8 t -90.28 -18.95 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 74.25 111.124 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.43 -28.5 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 73.34 111.138 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -78.43 -18.03 55.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 74.2 110.846 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.98 -34.52 38.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.839 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.6 mt -55.94 -25.33 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 63.43 111.138 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.5 tp -56.18 -36.26 68.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 74.3 110.969 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -61.39 -18.79 60.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 74.53 110.872 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.0 t -76.96 -39.22 51.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 74.31 110.846 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.19 -28.19 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 74.35 111.094 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.86 -19.02 45.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 75.24 110.893 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -69.21 -54.93 12.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 74.21 110.867 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -34.43 78.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 71.14 110.944 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.9 mt -52.92 -32.82 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 74.24 111.134 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.5 m -80.76 -28.64 36.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 74.02 110.866 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -76.08 -58.98 2.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.915 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.0 tt -59.36 -26.56 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 64.02 111.128 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.23 -38.88 95.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 53.42 112.466 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.8 t -91.4 -23.65 19.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 74.04 111.152 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.02 -32.13 66.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.895 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 t -74.07 -34.25 63.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 63.33 110.866 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.7 t -62.09 -20.46 24.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 75.54 111.17 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -86.14 -59.21 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.87 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.98 -21.84 33.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 73.13 111.108 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.25 -38.74 24.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 75.12 112.495 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.44 -23.91 23.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 74.41 110.873 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -76.75 -39.5 51.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 74.34 110.932 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mp -73.69 -40.64 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 75.2 111.095 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -65.09 -58.96 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 71.12 110.918 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 mp -50.72 -36.07 34.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 75.42 110.936 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.2 m -58.22 -38.16 76.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 73.23 110.869 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -83.23 -39.6 20.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.901 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -179.61 -34.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 72.2 110.883 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.87 9.74 75.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 44.3 112.473 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.17 151.49 7.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.807 -0.711 . . . . 60.44 112.505 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 156.99 147.17 4.69 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 74.53 112.473 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -76.97 -78.58 0.73 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.795 -0.717 . . . . 64.04 112.476 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.28 172.22 0.35 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 64.11 112.486 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -90.24 -178.82 44.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.693 -0.765 . . . . 63.52 112.504 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -10.69 29.19 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.67 2.247 . . . . 72.25 112.381 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.02 -22.05 39.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 75.21 110.879 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -75.86 -31.69 59.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 73.43 110.933 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.07 -35.62 80.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 75.34 110.874 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.5 -26.16 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 74.12 111.118 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.5 t -78.96 -30.24 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 74.35 111.128 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.23 -24.76 22.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 74.34 110.91 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 t -86.54 -44.39 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 73.21 111.114 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.6 mt -75.08 -23.26 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.11 111.099 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.479 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -51.79 -60.52 5.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.605 0.717 . . . . 74.31 110.907 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.8 Cg_endo -69.74 -32.76 18.04 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.727 2.285 . . . . 74.23 112.297 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 57.8 m -64.13 -29.98 71.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 74.24 110.892 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.82 -59.26 5.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 74.55 110.912 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -55.69 -25.7 41.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 74.43 110.862 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.66 -24.87 31.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 75.21 110.867 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.95 -35.14 63.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 71.24 110.899 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.31 -23.26 67.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 74.4 110.866 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.9 mt -66.42 -34.88 78.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 72.24 110.936 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.2 p -62.79 -16.86 59.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 72.42 111.132 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.63 -14.61 29.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 50.13 112.468 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.7 tp -91.07 -11.1 39.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.894 0.378 . . . . 73.44 110.935 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -95.08 -31.82 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 73.31 111.104 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -96.52 0.98 50.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 75.43 110.911 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -124.23 -56.08 1.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 71.21 110.951 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.0 mt -114.03 72.67 2.26 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.575 0.702 . . . . 71.15 110.909 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 129.25 17.24 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.68 2.253 . . . . 64.31 112.321 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.8 m -111.4 -15.82 13.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 74.35 111.138 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -177.81 -172.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.14 110.875 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -62.96 -16.73 60.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.872 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.93 39.36 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 74.52 112.458 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.84 -53.48 55.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.89 0.376 . . . . 74.04 110.861 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.2 mmtp -80.97 -20.05 42.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 75.22 110.94 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.8 mtt -76.8 -40.19 48.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 75.51 110.872 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 t -57.21 -25.92 59.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 62.25 111.133 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -80.11 -20.03 45.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 64.52 110.896 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.8 m -73.48 -26.24 60.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 64.34 110.872 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -82.16 -20.97 36.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 74.54 110.921 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 43.3 t -87.02 -17.99 31.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 72.41 110.823 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 77.9 t -80.69 -29.98 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 52.43 111.101 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 20.4 mt -86.03 -32.93 21.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.937 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.36 -35.12 47.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 75.31 110.906 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.7 p -80.91 -20.07 42.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 71.13 110.845 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.1 tp -73.34 -47.73 40.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 70.4 110.934 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.3 t -53.63 -27.52 27.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 63.25 111.142 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -52.02 -39.13 59.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 75.23 110.904 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.6 -22.92 32.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 75.23 110.927 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.43 -23.01 43.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 73.14 110.909 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -72.75 -33.83 66.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.914 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -12.44 61.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 74.32 110.902 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.93 -24.44 4.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 75.02 111.15 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.8 m -58.19 -20.14 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 75.23 111.11 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -88.34 -16.26 33.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.878 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.7 -65.98 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.876 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -144.71 74.23 15.01 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.683 0.754 . . . . 73.52 111.152 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 144.55 54.32 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.663 2.242 . . . . 72.33 112.307 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.76 136.72 3.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 73.35 110.843 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.52 98.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 75.53 111.135 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.9 t -81.01 -11.61 59.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.32 110.85 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.7 m -84.74 -31.62 23.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 71.34 110.841 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.18 -16.96 53.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 72.43 111.076 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.53 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -56.83 -57.53 23.5 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.719 . . . . 73.13 111.154 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.8 Cg_endo -69.77 -18.97 36.64 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.666 2.244 . . . . 70.1 112.319 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.66 -54.51 7.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 70.31 110.908 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 37.8 pt -57.03 -24.23 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 75.32 111.132 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -52.93 -32.18 41.05 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 73.04 112.486 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -78.36 -28.49 47.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 75.44 110.943 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -80.92 -33.34 34.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 64.22 110.946 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 7.6 mtm -65.59 -55.25 18.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 74.21 110.837 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -27.26 69.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 75.15 110.878 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -52.03 -54.41 30.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 74.44 110.918 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 2.1 m -61.91 -31.37 71.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 73.02 111.101 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.07 -35.04 69.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 74.04 110.88 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -69.83 -43.44 71.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 73.21 110.865 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -55.32 -30.85 61.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.931 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 39.6 t -56.44 -24.62 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.504 . . . . 73.34 111.131 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -60.87 -20.19 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 73.41 110.911 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 28.0 p -52.25 -30.0 25.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.854 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.5 t -54.28 -40.59 67.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 75.41 110.848 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 1.9 mp -83.91 -40.56 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 65.22 111.089 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -31.76 62.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 74.33 110.867 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 6.9 mt -78.28 -50.54 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 74.44 111.143 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 58.6 p -59.75 -22.53 62.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 75.2 111.119 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.18 -18.42 47.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 75.31 110.857 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -84.66 -19.89 32.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 71.43 110.862 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.51 -25.58 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 73.34 111.099 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -78.17 -22.81 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 75.52 111.107 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.52 -22.91 32.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 54.52 110.913 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.17 -34.34 11.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 74.13 111.083 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -69.71 -45.73 67.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 71.04 110.879 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.55 -17.92 61.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 74.32 110.841 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.21 -33.83 14.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 74.15 110.867 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 11.4 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 71.33 110.9 -179.839 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mtm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.821 0.344 . . . . 73.21 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.22 -54.56 4.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.42 111.122 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.1 t60 62.18 165.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 72.35 110.883 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -102.06 99.93 10.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.853 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -155.74 -174.56 5.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 63.41 110.858 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -142.58 -43.27 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 74.11 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -103.44 -177.4 3.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 70.23 110.864 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -124.71 106.19 9.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 71.44 110.899 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.51 -47.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 72.12 111.086 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -44.64 19.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 73.23 110.879 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.6 m -90.21 -19.02 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 72.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.42 -28.52 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 71.22 111.119 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.88 -21.15 61.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 72.21 110.845 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -76.96 -47.78 19.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 74.24 110.855 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.1 mt -56.07 -24.99 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 74.44 111.145 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 tt -54.04 -45.12 71.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.914 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -18.81 65.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 74.52 110.902 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.71 -40.41 48.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 72.24 110.873 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.05 -27.76 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.44 111.135 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -80.9 -18.93 45.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 73.23 110.851 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.3 -51.91 39.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 63.42 110.861 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -32.7 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.862 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.7 mt -55.22 -33.67 31.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 75.11 111.094 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -80.94 -60.93 2.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 75.34 110.936 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -51.95 -59.02 4.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 74.32 110.896 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.51 -24.46 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 75.12 111.111 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.41 -30.01 40.0 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.732 . . . . 70.44 112.478 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.4 p -92.04 -20.96 20.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 73.2 111.145 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -69.26 -34.11 74.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 71.3 110.858 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.9 m -80.18 -22.09 42.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 72.43 110.884 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.3 t -72.86 -20.5 19.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 75.1 111.089 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -86.78 -54.87 4.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.892 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.21 -21.88 25.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 73.1 111.093 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.78 -40.39 26.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 73.25 112.483 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -88.45 -19.98 25.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.91 0.386 . . . . 71.05 110.865 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -80.81 -38.72 27.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 75.13 110.961 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mp -72.87 -44.7 57.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 74.42 111.145 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.64 -58.9 6.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 62.21 110.87 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.1 mp -51.17 -36.35 40.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 75.21 110.978 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 m -58.38 -38.18 76.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 75.24 110.877 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -84.1 -39.25 19.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 72.31 110.896 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -179.43 -34.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 65.03 110.897 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.68 4.27 89.29 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 74.32 112.481 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.88 121.42 19.23 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 71.3 112.512 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.71 172.82 40.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 54.52 112.508 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -78.47 145.14 28.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 74.5 112.477 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.16 -142.32 23.38 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.808 -0.71 . . . . 73.15 112.49 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.81 -178.77 22.9 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 62.12 112.488 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -10.77 29.37 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.259 . . . . 70.52 112.348 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.73 -22.2 40.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 74.2 110.926 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -67.48 -31.21 71.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 70.14 110.9 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -60.34 -53.03 62.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 74.41 110.914 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.8 m -67.12 -31.69 54.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 74.14 111.131 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.3 t -70.92 -42.78 77.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 72.3 111.13 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.11 -24.51 40.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 73.02 110.888 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.0 t -84.02 -45.98 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 73.13 111.09 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 84.5 mt -75.77 -21.95 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 73.24 111.125 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.485 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 3.0 mt-10 -50.6 -60.28 5.72 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.631 0.729 . . . . 72.35 110.918 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.6 Cg_endo -69.74 -31.21 21.04 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.722 2.281 . . . . 73.15 112.309 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 68.1 m -64.54 -32.07 73.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 72.04 110.899 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -56.08 -59.83 4.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 65.25 110.881 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -25.51 41.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 72.31 110.926 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.12 -24.83 32.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 75.42 110.875 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 61.5 m -53.72 -32.91 53.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 63.23 110.859 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -58.2 -24.04 57.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 73.43 110.892 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.8 mt -68.27 -33.75 74.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 73.44 110.877 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.7 p -69.16 -11.3 60.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.33 111.127 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -105.27 -16.58 15.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.802 -0.713 . . . . 75.13 112.467 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.07 -9.97 43.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.826 0.346 . . . . 73.54 110.911 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t -95.01 -44.13 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 74.55 111.119 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -83.07 1.01 42.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 75.33 110.888 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -120.23 -67.62 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 73.45 110.925 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tt -124.55 74.31 62.22 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.63 0.729 . . . . 73.11 110.904 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 129.3 17.34 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.704 2.269 . . . . 75.34 112.337 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.6 m -93.01 -16.51 24.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 73.25 111.104 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -177.65 -172.91 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 75.21 110.828 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -16.84 61.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.855 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.49 39.08 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.763 -0.732 . . . . 74.54 112.541 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.65 -55.2 36.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.899 0.381 . . . . 74.12 110.914 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -81.0 -19.99 42.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 71.34 110.874 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.7 mtt -75.78 -39.0 57.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 74.43 110.848 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.3 t -59.19 -20.98 58.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 71.25 111.15 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -78.52 -22.45 47.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 64.35 110.852 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.1 t -73.99 -27.25 60.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 65.15 110.826 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -62.66 -31.64 72.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 74.04 110.914 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.99 -18.0 31.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 75.4 110.884 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.0 t -76.67 -31.97 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 74.55 111.152 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 18.4 mt -86.01 -33.58 21.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 75.02 110.938 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt -76.06 -36.67 58.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 72.41 110.898 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.6 t -80.92 -20.01 43.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 75.14 110.862 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.2 tp -75.44 -48.41 22.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 74.5 110.934 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.6 t -53.69 -27.55 28.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 73.02 111.124 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -53.24 -35.06 59.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 75.02 110.868 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -83.56 -22.98 32.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 71.41 110.91 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.7 tp -83.08 -22.91 33.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 71.45 110.916 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -79.49 -35.3 40.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 73.21 110.905 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -12.24 61.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 74.53 110.907 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.67 -24.58 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 73.33 111.13 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.0 t -57.81 -20.53 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 73.34 111.157 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -87.23 -16.76 34.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 71.31 110.897 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.06 -68.53 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 72.04 110.92 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.2 mp -135.81 74.25 58.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.684 0.754 . . . . 72.35 111.165 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 164.18 35.46 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.718 2.279 . . . . 73.02 112.369 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.8 t -142.9 -74.52 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 61.12 110.81 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.02 151.85 51.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 71.31 111.175 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.0 t -93.9 -8.07 41.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 73.51 110.888 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.17 -31.29 49.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 63.31 110.861 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.81 -16.98 54.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 61.22 111.133 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.525 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -54.63 -57.6 18.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.612 0.72 . . . . 71.01 111.137 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.4 Cg_endo -69.82 -31.36 20.41 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.63 2.22 . . . . 64.33 112.327 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.07 -60.46 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 73.25 110.93 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 11.5 tt -55.55 -25.64 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 64.55 111.113 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.77 -22.06 65.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 62.33 112.465 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.97 -33.39 26.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 75.02 110.895 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -73.62 -27.86 61.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 75.35 110.9 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 47.3 mtm -62.49 -53.2 58.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 72.14 110.857 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.1 -25.35 45.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.941 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -52.05 -30.09 24.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 53.13 110.877 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 3.7 m -85.77 -30.15 23.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 75.11 111.185 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -47.54 78.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 72.43 110.869 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -71.76 -16.99 62.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 64.11 110.898 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -67.43 -26.34 66.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 71.55 110.914 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -85.16 -22.74 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 72.13 111.149 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -53.8 -27.82 31.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.22 110.898 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -20.03 58.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 61.54 110.869 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 50.7 m -61.4 -35.18 76.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 75.23 110.86 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 1.8 mp -81.5 -51.27 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 74.43 111.127 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -30.08 23.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.927 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 23.0 mt -77.26 -43.1 31.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 72.41 111.138 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.41 -22.54 61.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 72.01 111.151 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.02 -18.67 47.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 61.55 110.889 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -83.67 -31.88 25.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 71.14 110.919 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.54 -19.52 19.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 60.13 111.115 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.7 pp -58.97 -23.22 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 74.1 111.166 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.66 -32.78 67.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 75.52 110.933 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.75 -43.69 12.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 74.32 111.159 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.86 -29.91 69.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 74.53 110.855 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -76.58 -41.28 46.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 74.33 110.825 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -52.46 -73.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 72.03 110.855 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 63.21 110.87 -179.779 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mtt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.806 0.336 . . . . 72.03 110.925 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.37 17.22 18.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 73.32 111.109 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.66 159.5 21.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 72.23 110.839 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -145.73 178.28 8.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 73.23 110.874 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -159.42 153.24 23.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 74.43 110.862 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -175.78 -170.92 0.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 73.23 110.821 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -84.82 164.16 18.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 71.32 110.874 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.33 115.83 0.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 73.44 110.837 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -169.98 -47.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 74.33 111.127 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 25.4 mmt -80.09 -44.59 19.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 74.54 110.926 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.3 m -90.29 -18.92 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 73.23 111.099 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.45 -28.44 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.21 111.127 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -37.55 83.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.855 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -68.9 -24.57 64.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 71.03 110.845 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.9 mt -70.59 -25.0 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 72.43 111.118 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.5 tp -55.67 -36.98 67.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 63.22 110.923 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -65.05 -18.91 65.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 72.35 110.929 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.3 m -77.35 -39.62 46.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 71.33 110.86 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.04 -27.89 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 73.44 111.103 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -80.94 -19.0 45.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 73.54 110.866 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -69.83 -49.28 54.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 72.51 110.855 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -51.47 -45.2 62.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 71.4 110.887 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.4 mt -52.73 -37.52 25.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 74.15 111.153 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 66.4 m -81.05 -22.16 39.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 73.3 110.888 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -59.03 2.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 71.14 110.899 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pt -56.35 -24.65 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 72.24 111.167 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -71.2 -16.04 74.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.715 -0.755 . . . . 55.33 112.486 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.31 -25.13 29.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 74.33 111.165 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -83.59 -40.67 18.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 74.3 110.881 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -18.02 59.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 74.03 110.89 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.3 t -59.64 -20.51 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 73.41 111.132 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.74 -56.54 3.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 75.2 110.886 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.04 -23.42 33.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 73.51 111.086 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.72 -40.81 44.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 40.11 112.456 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.0 mmm-85 -88.77 -21.77 23.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 72.44 110.865 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 mp -78.81 -36.18 43.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 75.54 110.927 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.16 -40.13 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 74.41 111.138 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.88 -45.8 63.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 75.54 110.894 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 mp -51.85 -30.97 25.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 73.42 110.916 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.46 -35.26 54.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 61.1 110.852 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -51.02 103.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 74.52 110.895 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.92 14.17 3.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 72.2 110.873 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.7 -31.94 14.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 62.51 112.498 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -134.42 -105.75 0.88 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 70.11 112.52 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 144.93 116.8 1.08 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.676 -0.773 . . . . 73.43 112.479 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -136.02 -139.43 3.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.729 . . . . 72.03 112.522 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.64 -170.89 0.44 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.733 -0.746 . . . . 45.11 112.49 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.77 -164.98 27.06 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 74.32 112.468 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -9.99 27.5 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 72.02 112.386 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 mt -73.37 -26.1 60.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 75.44 110.948 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -32.74 70.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 74.1 110.92 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.81 -46.6 81.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 74.53 110.905 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 52.4 t -76.97 -28.13 16.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 74.51 111.114 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 t -77.3 -31.36 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 71.42 111.13 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.409 HD21 ' N ' ' A' ' 55' ' ' ASN . 1.6 m-80 -89.04 -24.86 22.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.909 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.1 t -85.72 -44.81 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 73.4 111.132 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.8 mm -75.4 -22.57 16.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 75.51 111.105 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.481 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.6 -60.51 5.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.667 0.746 . . . . 72.33 110.916 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 54.2 Cg_endo -69.77 -26.66 27.29 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.659 2.239 . . . . 75.15 112.341 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.53 -41.22 76.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 75.3 110.877 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.36 -57.92 8.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 74.33 110.928 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -55.78 -25.51 41.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 74.54 110.9 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -83.89 -24.88 30.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 75.21 110.928 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -41.2 76.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 74.24 110.865 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.61 -27.96 68.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.102 -0.499 . . . . 63.35 110.86 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.0 mt -67.85 -38.69 83.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 73.53 110.947 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.5 p -62.99 -16.25 59.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 72.33 111.133 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.02 -13.5 36.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.765 -0.731 . . . . 54.55 112.512 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.8 tp -91.02 -11.91 37.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 72.42 110.931 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -95.07 -31.85 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 73.34 111.114 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -96.33 1.07 51.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.892 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -126.85 -47.92 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 74.52 110.872 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.6 tp -117.77 68.26 6.11 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.664 0.745 . . . . 73.22 110.899 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 129.33 17.44 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.653 2.235 . . . . 72.23 112.391 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.8 m -108.9 -14.47 14.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 73.14 111.152 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -178.07 -170.81 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 74.02 110.855 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 59.6 p -63.27 -16.5 60.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 65.0 110.832 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.35 38.59 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 74.32 112.466 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.33 -70.07 0.26 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.895 0.379 . . . . 74.05 110.895 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -56.46 -28.56 59.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 75.14 110.938 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.0 mtt -72.09 -61.03 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 75.51 110.91 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 t -61.86 -26.88 68.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 72.22 111.128 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -78.08 -20.31 52.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 64.03 110.873 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.5 m -84.27 -27.62 27.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 73.53 110.856 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -65.1 -20.01 66.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 73.54 110.879 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.86 -17.93 49.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 73.14 110.851 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.8 t -79.2 -34.39 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 74.04 111.115 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.0 mt -69.42 -18.97 63.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 72.13 110.956 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -84.05 -38.2 21.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 73.03 110.871 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.21 -19.94 27.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 64.1 110.867 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.58 -43.73 30.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 75.15 110.891 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.9 t -54.15 -26.98 30.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 74.12 111.135 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -55.54 -26.05 41.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 74.41 110.894 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.76 -25.87 32.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 73.14 110.934 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.08 -27.71 30.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 74.3 110.896 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -65.72 -31.07 71.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 75.13 110.891 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -12.61 61.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 71.0 110.88 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.97 -24.23 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 73.42 111.136 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.12 -20.29 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 74.11 111.079 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -86.9 -16.45 35.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 74.55 110.891 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.58 -66.92 0.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 65.52 110.94 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.0 mp -138.73 74.18 39.28 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.712 . . . . 74.04 111.088 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 88.86 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.653 2.236 . . . . 72.55 112.298 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 63.9 p -58.78 -176.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 72.42 110.859 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.9 p -62.42 -171.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 74.2 111.168 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 52.0 m -88.59 7.17 34.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 71.4 110.877 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.7 m -96.94 -40.68 8.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 71.53 110.862 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.86 -24.42 41.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 65.12 111.101 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.531 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -59.27 -57.53 26.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 71.42 111.117 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.2 Cg_endo -69.79 -19.34 36.13 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.663 2.242 . . . . 74.23 112.312 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.3 mt -78.04 -58.53 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 74.43 110.953 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 7.4 tt -58.73 -24.47 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 75.53 111.082 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.75 -28.88 70.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 71.52 112.427 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -71.13 -44.28 65.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.806 0.336 . . . . 72.21 110.946 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -76.26 -18.99 58.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 74.25 110.924 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 2.5 mtp -69.76 -43.04 73.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 73.51 110.91 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.0 -25.05 37.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.909 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -52.05 -44.87 64.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 75.42 110.887 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 4.6 m -68.84 -24.93 64.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 73.35 111.1 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -81.1 -36.67 30.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 73.53 110.891 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.15 -42.68 68.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 74.5 110.856 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -59.19 -21.72 59.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 74.31 110.89 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 79.5 t -55.85 -25.41 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.484 . . . . 75.4 111.171 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -66.96 -20.04 65.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 74.33 110.867 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.7 t -56.47 -25.09 49.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 74.21 110.874 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.4 m -57.06 -56.49 21.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 75.02 110.875 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 27.2 pt -69.4 -25.93 30.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 64.41 111.163 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -68.93 -58.04 4.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 74.34 110.953 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 57.1 mt -61.19 -49.16 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 75.05 111.158 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.9 p -58.05 -22.46 50.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 73.21 111.202 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -18.6 47.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 74.02 110.891 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -82.61 -20.95 35.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.862 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 1.5 p -57.43 -23.34 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 72.42 111.142 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.8 pp -59.75 -23.56 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 75.43 111.138 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -33.55 66.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 73.42 110.907 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.05 -35.08 29.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 75.43 111.141 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -71.97 -17.62 62.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.88 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -88.46 -42.31 12.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 71.42 110.821 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -52.58 -69.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.875 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.831 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.818 0.342 . . . . 63.44 110.845 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.68 100.19 1.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 73.34 111.14 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -99.01 -61.81 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 73.3 110.848 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -134.41 152.0 51.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.85 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -147.56 97.27 2.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.838 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -158.63 37.95 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 74.31 110.832 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -146.31 -170.11 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 74.04 110.871 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.4 m80 63.48 105.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 74.02 110.863 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.39 -47.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 74.02 111.112 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.3 -44.58 19.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 75.13 110.845 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.4 m -90.29 -18.96 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 73.14 111.132 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.43 -28.56 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 71.45 111.139 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -52.23 -30.15 26.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 73.33 110.899 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -74.49 -35.6 63.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 61.5 110.857 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.8 mt -62.0 -25.2 36.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 74.15 111.093 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 tt -56.83 -31.91 65.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 75.03 110.922 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -66.74 -18.76 65.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 74.13 110.887 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.7 -40.81 47.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 62.43 110.902 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.14 -27.81 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 74.04 111.093 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -80.74 -19.04 45.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 72.2 110.919 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.04 -55.15 15.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 73.21 110.887 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -39.66 70.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 74.32 110.914 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 83.5 mt -53.26 -34.55 22.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 74.01 111.114 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.9 m -80.59 -24.7 38.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.878 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -80.27 -58.22 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 71.24 110.924 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.7 tt -52.0 -29.69 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 73.14 111.123 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.63 -39.51 95.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 63.21 112.472 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.4 p -91.28 -26.33 19.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.729 0.3 . . . . 75.25 111.122 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -73.34 -33.94 65.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 74.42 110.86 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -71.04 -18.48 62.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 72.11 110.877 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.3 t -59.8 -20.52 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 72.35 111.117 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -86.75 -55.55 3.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 72.53 110.936 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.1 -22.65 29.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 65.22 111.105 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.49 -40.62 32.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 73.01 112.498 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -88.56 -20.21 25.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 73.32 110.852 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -80.21 -38.36 31.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 73.53 110.93 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mp -73.4 -48.04 43.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 74.33 111.135 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.89 -58.2 9.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 73.11 110.903 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.6 mp -51.32 -36.06 40.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 74.35 110.906 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.47 -38.07 68.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 72.13 110.88 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -84.74 -39.83 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 75.12 110.927 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -179.58 -34.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 72.42 110.903 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.39 -1.72 84.51 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 75.52 112.527 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.1 164.54 54.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 64.31 112.479 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 175.42 -176.42 47.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 70.24 112.486 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -103.21 -71.95 0.9 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 55.12 112.472 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.7 -165.3 0.36 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 72.21 112.495 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.84 -177.79 38.0 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 65.24 112.464 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -10.7 29.17 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.258 . . . . 73.43 112.372 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.23 -22.02 39.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 74.4 110.887 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -62.62 -27.27 69.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 73.52 110.929 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -62.89 -52.71 62.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 74.52 110.882 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -78.38 -26.7 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 72.53 111.145 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.1 t -71.19 -31.74 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 62.44 111.159 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -89.45 -24.27 21.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 64.13 110.93 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.08 -27.62 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 72.24 111.179 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.0 mm -91.87 -25.72 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 74.21 111.13 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.485 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -50.88 -60.34 5.72 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.713 0.768 . . . . 73.34 110.898 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.9 Cg_endo -69.76 -34.39 14.66 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.691 2.26 . . . . 73.45 112.371 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.3 m -64.04 -32.68 74.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 64.41 110.9 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.04 -59.08 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 72.31 110.901 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -55.83 -25.31 41.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 75.42 110.889 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -83.84 -24.93 30.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.25 110.903 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.84 -40.69 73.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.507 . . . . 75.53 110.843 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -63.35 -27.12 69.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 73.21 110.91 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.4 mt -66.31 -36.48 83.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 75.54 110.941 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.7 p -62.9 -16.31 58.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 61.12 111.175 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.44 -13.14 39.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 64.22 112.498 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.6 tp -91.01 -12.57 35.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 73.44 110.922 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -95.03 -31.84 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 64.24 111.139 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -95.86 1.05 52.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 72.25 110.882 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -127.17 -47.63 1.47 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 75.44 110.922 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.2 tp -117.68 68.27 5.92 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.625 0.726 . . . . 75.53 110.916 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 129.34 17.43 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.689 2.259 . . . . 75.33 112.321 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.2 m -107.73 -17.05 14.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 75.41 111.144 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -177.99 -170.86 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 71.12 110.885 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -16.68 60.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.24 110.85 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.08 39.05 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 75.31 112.51 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.65 -69.75 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.966 0.413 . . . . 74.21 110.922 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -55.49 -29.83 59.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 64.13 110.936 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.2 mtt -73.45 -60.98 1.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.897 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 t -59.76 -25.83 65.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 60.43 111.127 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -81.05 -22.44 39.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 75.54 110.931 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.8 m -84.36 -27.88 27.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 73.43 110.835 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -62.98 -19.94 64.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 73.32 110.904 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.52 -17.96 49.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.854 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.32 -33.75 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 72.22 111.105 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.6 mt -69.98 -32.17 70.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 74.45 110.89 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.27 -32.48 55.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.86 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 m -87.2 -20.01 27.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 65.24 110.821 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.28 -46.86 15.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 72.4 110.954 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.4 t -53.4 -27.86 26.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 73.4 111.175 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.3 -31.3 53.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 72.54 110.912 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -83.58 -23.79 31.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 75.3 110.871 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.3 tp -83.07 -27.4 30.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 73.33 110.905 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -64.88 -30.53 71.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 75.12 110.941 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -12.7 61.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.846 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -52.15 -24.68 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 73.15 111.126 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 26.3 t -58.35 -20.51 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 64.33 111.145 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.52 -14.88 39.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 75.23 110.88 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.36 -69.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 73.32 110.919 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.2 mp -133.01 73.74 74.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.654 0.74 . . . . 71.23 111.096 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 100.06 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.689 2.259 . . . . 70.41 112.385 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -74.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 74.5 110.873 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.5 p -144.41 -179.28 6.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 75.22 111.13 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.4 m -106.38 -3.2 21.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 64.02 110.868 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.2 m -105.09 -32.48 8.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 72.14 110.849 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.65 -17.24 51.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 52.2 111.091 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.532 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -51.93 -57.6 14.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.621 0.724 . . . . 74.12 111.114 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.75 -21.24 33.81 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.702 2.268 . . . . 74.41 112.325 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.3 tt -75.7 -58.94 2.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 65.41 110.928 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.8 tt -58.08 -26.72 29.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 74.13 111.1 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -54.22 -31.89 50.2 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 74.33 112.454 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -78.69 -39.2 37.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.795 0.331 . . . . 65.41 110.871 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -67.81 -54.45 18.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 73.5 110.949 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -36.17 60.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.873 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.7 tt -79.51 -27.84 41.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 75.44 110.906 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -52.12 -43.96 64.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 73.25 110.852 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.4 m -71.58 -32.09 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 65.12 111.154 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.2 mttp -73.06 -28.89 62.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 75.45 110.93 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -85.97 -24.54 26.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 74.32 110.896 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -52.06 -31.66 31.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 73.04 110.888 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.1 p -52.32 -29.54 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 64.41 111.092 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -56.54 -27.35 57.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 74.4 110.877 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.2 m -59.55 -21.78 60.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 61.42 110.903 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.7 t -67.85 -20.88 65.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 63.0 110.836 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 12.8 mt -79.76 -53.22 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 63.23 111.151 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -53.09 -37.09 61.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 73.35 110.907 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 29.9 mt -65.3 -36.59 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 64.25 111.11 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -22.58 59.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 72.34 111.106 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -60.18 -18.41 47.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 71.23 110.846 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -84.72 -19.91 31.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 74.12 110.841 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.59 -25.63 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 70.03 111.156 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.81 -22.86 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 75.31 111.161 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.0 -24.74 32.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 75.32 110.862 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.07 -44.02 7.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 74.41 111.166 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -61.35 -29.26 69.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 73.14 110.886 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -77.41 -51.81 10.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 70.14 110.85 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -52.07 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 71.04 110.839 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 63.12 110.875 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.9 mtp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.74 0.305 . . . . 73.13 110.874 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.34 165.47 13.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 73.4 111.114 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -170.03 156.57 6.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.425 . . . . 73.42 110.87 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 53.86 62.45 2.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 73.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -145.84 162.56 37.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 74.32 110.853 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -134.02 -73.64 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 74.42 110.832 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -64.79 150.73 46.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.21 110.898 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -128.17 106.11 8.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 72.35 110.891 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -169.59 -47.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 72.23 111.078 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 22.4 mmt -80.14 -44.56 19.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 75.33 110.878 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.31 -18.93 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 72.41 111.126 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.43 -28.43 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 74.42 111.135 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -73.99 -24.3 59.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 73.13 110.862 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -76.59 -56.21 4.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 75.41 110.914 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.7 mt -52.78 -28.76 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 70.52 111.167 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.48 -43.31 71.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 74.02 110.877 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -66.17 -18.92 65.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 73.34 110.887 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -76.76 -40.54 48.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 63.32 110.904 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.14 -27.73 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 75.04 111.109 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -80.84 -18.94 45.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 72.22 110.855 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.98 -52.5 35.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 74.25 110.857 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -32.5 73.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 74.02 110.879 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.9 mt -54.5 -33.86 27.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 75.24 111.134 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.02 -21.36 40.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 62.31 110.881 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -85.04 -59.01 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 72.14 110.881 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.2 tp -52.08 -29.58 11.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 72.23 111.104 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.95 -36.77 93.47 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 73.22 112.491 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.02 -21.04 20.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.749 0.309 . . . . 74.43 111.13 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -69.43 -29.55 67.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.893 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.4 p -81.91 -17.95 45.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 75.12 110.861 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.5 t -65.13 -20.47 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 74.3 111.138 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -86.21 -59.27 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 71.33 110.886 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.26 -23.19 46.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 71.32 111.107 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.46 -39.83 41.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 72.03 112.532 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.62 -26.39 21.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 72.1 110.85 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 mp -72.27 -38.23 68.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 73.11 110.908 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mp -78.47 -37.69 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 72.42 111.105 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -46.18 86.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 72.22 110.9 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 mp -51.85 -47.51 64.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 73.12 110.938 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.35 -34.7 61.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 64.12 110.84 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -56.25 -36.92 69.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 73.21 110.928 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -179.52 -34.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 72.22 110.902 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.78 -9.21 78.37 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.754 -0.736 . . . . 45.14 112.486 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.6 167.56 13.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.741 -0.742 . . . . 71.11 112.497 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 158.3 162.87 12.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 74.34 112.508 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.77 -101.96 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.743 . . . . 73.32 112.496 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.63 175.05 0.35 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 73.5 112.456 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.15 -178.81 28.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.694 -0.765 . . . . 73.53 112.496 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -10.64 29.03 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.654 2.236 . . . . 74.33 112.361 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.36 -35.0 31.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 75.01 110.948 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -61.23 -36.25 79.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 72.24 110.915 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -63.99 -51.96 61.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 73.34 110.888 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.5 t -69.1 -32.21 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 74.44 111.126 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.5 t -72.6 -37.28 55.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 74.24 111.143 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -84.28 -24.71 29.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 63.13 110.892 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.6 t -85.2 -45.29 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 73.53 111.13 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 35.5 mm -75.12 -22.53 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 74.1 111.141 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.474 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.5 mt-10 -51.24 -60.56 5.48 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.638 0.733 . . . . 71.22 110.848 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.5 Cg_endo -69.81 -32.65 17.96 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.654 2.236 . . . . 73.4 112.384 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 66.0 m -64.2 -31.41 72.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 72.41 110.849 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -53.01 -53.44 50.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 75.52 110.894 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -55.77 -25.56 41.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 62.4 110.93 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.9 -24.97 30.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 72.23 110.878 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.83 -38.96 65.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 64.24 110.894 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.45 -25.83 68.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 64.41 110.846 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.1 mt -66.53 -32.45 73.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 72.43 110.863 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.7 m -62.59 -20.6 64.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 74.32 111.152 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.29 -13.77 37.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 63.21 112.501 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.6 tp -91.01 -11.07 39.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 74.01 110.941 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -95.01 -31.99 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 72.34 111.129 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -95.86 1.06 52.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 72.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -119.58 -61.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 70.25 110.943 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.4 tp -139.88 74.42 32.01 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.583 0.706 . . . . 75.31 110.89 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 129.3 17.34 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.638 2.225 . . . . 74.55 112.37 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.4 m -65.7 -14.33 61.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 72.43 111.13 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -177.9 -171.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 64.21 110.83 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 p -62.85 -16.84 60.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 75.05 110.881 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.8 29.75 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 73.3 112.452 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -71.22 -43.74 66.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.383 . . . . 73.31 110.857 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -81.03 -22.1 39.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 75.53 110.877 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 8.1 mtt -84.41 -44.77 13.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 75.3 110.87 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.0 t -57.62 -22.97 48.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 61.54 111.176 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -81.18 -19.98 42.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 73.42 110.877 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.9 m -74.98 -26.77 59.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 54.2 110.857 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.4 ttmt -74.59 -22.11 59.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 72.5 110.875 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.6 t -87.03 -17.93 31.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 70.31 110.865 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 15.9 t -82.07 -34.36 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 63.22 111.105 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 47.0 mt -86.1 -33.54 20.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 63.32 110.922 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.56 -37.65 62.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.54 110.9 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 24.1 t -80.93 -19.95 43.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 74.13 110.829 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.2 tp -76.99 -48.66 17.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 74.04 110.917 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.8 t -53.77 -27.49 29.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 73.15 111.161 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.74 -35.94 56.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 74.22 110.936 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.4 mmpm? -83.6 -22.96 32.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 75.12 110.921 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 11.3 tp -82.24 -22.83 35.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 71.33 110.931 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -79.82 -36.22 37.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 75.11 110.877 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -12.48 61.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 72.33 110.876 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.89 -24.62 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 71.2 111.132 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -57.65 -20.72 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 72.44 111.098 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -87.27 -18.85 29.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 71.31 110.856 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -88.35 -68.36 0.77 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.916 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.3 mp -139.48 74.2 34.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.73 . . . . 73.42 111.124 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 82.65 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.272 . . . . 74.4 112.395 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 59.0 m -52.06 -68.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 60.34 110.834 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.1 p -142.56 131.37 22.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 73.1 111.148 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.9 t -79.58 -5.82 55.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 72.34 110.832 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.48 -31.71 53.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 75.31 110.83 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.84 -17.0 52.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 74.24 111.128 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.532 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -52.22 -57.57 14.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.633 0.73 . . . . 73.44 111.07 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.7 Cg_endo -69.73 -23.32 31.08 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.724 2.283 . . . . 71.21 112.341 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.59 -58.08 3.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 74.45 110.918 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -56.4 -24.95 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 74.52 111.149 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -52.92 -31.91 40.44 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 75.51 112.511 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -83.75 -33.01 25.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.766 0.317 . . . . 71.34 110.9 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -73.78 -29.57 62.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 73.52 110.916 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.05 -54.07 25.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 71.25 110.898 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -25.96 59.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 63.12 110.94 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -53.33 -39.21 63.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 71.2 110.843 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 20.3 m -71.63 -44.91 63.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 73.43 111.139 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -66.02 -24.81 66.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 74.25 110.887 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -75.85 -31.1 59.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.928 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -51.21 26.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 74.54 110.902 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 6.9 p -58.11 -23.02 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 64.54 111.159 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -20.03 66.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.911 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.3 -47.62 19.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 70.44 110.862 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.1 p -57.77 -35.96 71.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 70.44 110.901 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 37.8 pt -79.02 -24.23 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 72.35 111.136 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -82.53 -29.11 30.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.92 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 63.4 mt -65.25 -35.21 74.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 73.3 111.154 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.83 -22.51 66.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 74.43 111.147 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.16 -18.42 47.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 74.13 110.899 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -85.51 -19.69 30.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.86 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.75 -26.77 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 74.55 111.126 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -30.83 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 75.3 111.121 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -21.52 59.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 71.34 110.877 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -44.03 33.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 73.25 111.119 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -76.09 -8.97 58.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 65.33 110.885 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -104.86 -24.79 12.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 72.04 110.841 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.868 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.86 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.775 0.321 . . . . 75.02 110.823 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.1 -174.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 74.13 111.095 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 63.25 165.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 61.1 110.889 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -178.52 125.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 75.34 110.878 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -178.63 176.27 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.856 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -76.76 114.24 15.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 75.22 110.858 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.18 -169.8 0.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 70.35 110.846 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 63.53 105.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 75.05 110.851 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.36 -47.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 63.01 111.092 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.26 -44.58 19.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 72.33 110.849 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 t -90.29 -19.04 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 73.44 111.108 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.38 -28.53 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 73.25 111.085 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -73.23 -19.62 61.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 71.31 110.847 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -83.98 -19.99 33.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.913 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.8 mm -75.82 -25.05 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 75.42 111.143 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.7 tp -53.85 -45.18 70.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 75.03 110.922 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -65.83 -18.92 65.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 75.41 110.87 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.5 t -76.83 -40.33 48.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 52.42 110.889 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.09 -27.81 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.15 111.097 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -80.83 -19.01 45.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 72.21 110.889 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -68.29 -56.43 8.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 74.13 110.865 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -51.52 -41.26 60.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.878 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 66.4 mt -54.23 -34.81 28.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 75.11 111.136 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.03 -21.06 40.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 64.45 110.837 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.36 -59.01 2.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 62.31 110.903 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 tp -52.1 -29.53 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 72.23 111.173 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.55 -48.3 85.5 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 65.13 112.496 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.05 -29.52 21.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.798 0.332 . . . . 75.42 111.165 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -71.22 -37.64 72.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 74.5 110.919 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -82.03 -28.56 32.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 74.04 110.822 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.5 t -59.57 -20.7 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 73.41 111.116 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -87.64 -52.84 5.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 73.24 110.876 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.48 -24.07 29.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 64.4 111.082 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.24 -41.79 68.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.779 -0.724 . . . . 64.43 112.507 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.68 -20.35 23.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.37 . . . . 73.42 110.846 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mp -78.88 -35.79 43.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 72.21 110.923 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mp -76.89 -52.23 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 75.4 111.168 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -54.56 -51.97 63.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 63.41 110.872 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 mp -51.02 -35.67 35.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 73.31 110.921 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 m -82.02 -28.93 32.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 63.05 110.909 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -63.51 94.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 75.42 110.895 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -141.47 12.75 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.889 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.04 -27.96 47.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 73.32 112.485 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -131.73 -36.47 0.32 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 61.43 112.462 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.72 147.23 10.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 51.15 112.443 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -173.5 178.06 45.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.683 -0.77 . . . . 73.45 112.429 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.24 -171.99 0.45 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 75.12 112.478 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -92.02 179.97 41.29 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.685 -0.769 . . . . 75.05 112.445 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -10.93 29.71 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.667 2.245 . . . . 74.45 112.349 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.34 -28.18 42.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.883 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -30.47 68.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 75.02 110.911 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -65.09 -47.83 75.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 75.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -26.44 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 74.51 111.109 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 t -78.54 -31.74 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 75.14 111.138 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -89.18 -24.66 22.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 75.55 110.905 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.0 t -85.61 -45.33 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 72.11 111.14 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 36.4 mm -75.11 -22.39 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 75.53 111.144 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.471 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.6 mt-10 -51.68 -60.56 5.7 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.633 0.73 . . . . 71.4 110.914 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.8 Cg_endo -69.76 -26.59 27.43 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.688 2.259 . . . . 73.0 112.357 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -32.79 74.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 75.32 110.884 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.81 -58.46 7.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 73.34 110.9 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -55.73 -25.57 41.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 73.3 110.905 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -84.09 -24.85 30.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 71.21 110.889 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -41.58 80.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 55.22 110.835 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -64.83 -27.45 68.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 70.05 110.889 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.6 mt -67.22 -37.95 84.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 75.53 110.876 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.7 p -62.84 -16.39 58.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 72.35 111.143 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.85 -13.38 37.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 73.33 112.487 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.4 tp -91.01 -10.6 41.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.906 0.384 . . . . 74.4 110.958 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -95.08 -31.71 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 73.15 111.103 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -97.11 1.09 49.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.847 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -124.03 -56.61 1.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 63.53 110.922 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 68.3 mt -113.95 72.71 2.2 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.593 0.711 . . . . 73.13 110.954 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 129.05 16.97 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.753 2.302 . . . . 72.23 112.357 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 47.5 m -102.68 -17.15 15.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 73.15 111.149 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -178.01 -170.8 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 71.31 110.861 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -16.69 60.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 71.35 110.85 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.94 39.14 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 73.13 112.428 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.04 -69.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.921 0.391 . . . . 73.51 110.914 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -54.72 -27.92 44.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 73.41 110.915 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 10.2 mtt -76.47 -61.05 2.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 75.24 110.877 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -58.89 -25.99 63.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 63.51 111.15 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -76.68 -28.05 55.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 71.4 110.941 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 51.3 m -84.99 -26.07 27.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 75.11 110.848 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -64.49 -32.2 73.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 75.42 110.967 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -17.97 65.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 73.41 110.871 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.0 t -87.02 -23.02 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 75.44 111.076 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 35.9 mt -68.7 -36.21 78.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.884 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.42 -34.22 41.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 70.1 110.915 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -81.19 -19.92 42.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 75.51 110.855 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.1 tp -70.84 -45.95 63.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 74.32 110.908 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.8 t -53.79 -27.24 27.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 74.42 111.132 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.86 -32.04 60.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 72.1 110.864 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -22.98 32.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 74.33 110.927 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.46 -36.61 26.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.912 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -65.35 -29.92 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 74.03 110.934 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -12.64 61.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 74.53 110.925 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.89 -24.79 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 74.32 111.107 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.9 t -57.6 -20.98 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 71.12 111.175 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -87.45 -18.59 29.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 64.05 110.877 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -89.14 -69.6 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 73.41 110.93 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.2 mp -137.71 73.9 46.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.584 0.707 . . . . 64.2 111.171 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 78.52 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.731 2.288 . . . . 71.11 112.331 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.0 m -53.88 -74.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 75.44 110.851 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -159.34 175.94 12.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 72.44 111.163 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 t -91.79 7.33 42.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 71.13 110.867 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.6 t -79.72 -42.1 25.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 72.5 110.845 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.06 -17.03 53.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 73.13 111.125 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.51 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -52.61 -57.55 15.36 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.581 0.705 . . . . 73.05 111.106 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.7 Cg_endo -69.76 -34.48 14.5 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.695 2.263 . . . . 72.0 112.363 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 28.5 mt -63.34 -55.34 25.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 74.31 110.887 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 14.9 tt -68.5 -24.7 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 63.13 111.112 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -69.58 -33.7 72.28 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.759 . . . . 44.43 112.531 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -65.35 -33.34 75.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 65.1 110.904 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -85.09 -18.96 32.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 71.44 110.876 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.17 -52.74 37.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 74.54 110.887 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -24.97 55.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 75.11 110.93 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.05 -31.4 29.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 61.3 110.893 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 24.9 p -86.39 -28.17 23.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 54.31 111.137 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -69.09 -37.67 78.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.91 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -74.82 -31.68 61.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 75.34 110.874 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.26 -24.77 64.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 75.51 110.883 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 64.6 t -56.31 -28.39 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 75.41 111.141 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.36 -20.23 65.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 74.01 110.937 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 67.9 m -57.59 -23.83 52.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 74.43 110.813 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.4 m -64.08 -53.05 55.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 72.45 110.858 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 27.8 pt -72.1 -25.75 24.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 74.32 111.09 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -70.68 -55.26 9.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.908 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 20.8 mt -62.4 -47.43 93.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 71.41 111.155 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 66.8 p -61.6 -22.57 65.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 75.14 111.113 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.04 -18.61 47.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 72.45 110.909 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -83.94 -24.16 30.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 73.42 110.916 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.0 -20.26 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 74.31 111.083 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 2.2 pp -53.84 -28.01 16.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 64.43 111.164 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -52.09 -34.38 43.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 75.02 110.881 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.7 -42.18 8.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 74.31 111.109 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -60.38 -20.24 58.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 74.43 110.851 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -83.64 -53.08 5.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 73.32 110.881 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -52.46 -66.92 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 75.53 110.835 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 74.11 110.822 -179.764 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.78 0.324 . . . . 74.14 110.894 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.69 72.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 74.32 111.104 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -133.04 134.02 43.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 72.12 110.885 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -150.37 79.79 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 74.04 110.834 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -147.97 177.31 9.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 74.44 110.88 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -117.84 -48.43 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 75.14 110.867 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.76 -178.72 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 74.04 110.881 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.94 107.12 15.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.23 110.869 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -169.07 -47.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 71.04 111.062 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.4 mmt -80.14 -44.49 19.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 74.51 110.864 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.0 t -90.3 -18.96 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 73.12 111.138 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.45 -28.44 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 74.2 111.156 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -81.16 -21.78 39.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 72.55 110.847 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.04 -49.32 10.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 71.42 110.884 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.7 mt -56.11 -24.99 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 72.44 111.116 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 tt -52.6 -49.48 64.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 74.52 110.916 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt -66.14 -18.83 65.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 74.24 110.887 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -40.3 47.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 63.52 110.913 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.09 -27.79 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 74.21 111.175 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -80.82 -19.0 45.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 75.3 110.923 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -68.19 -53.78 22.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 75.41 110.894 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -38.18 84.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 71.53 110.905 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 58.4 mt -52.15 -35.08 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 75.23 111.124 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -81.02 -26.98 36.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 74.2 110.915 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -76.99 -57.76 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 73.41 110.937 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.2 tp -51.75 -29.96 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 73.52 111.135 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.2 -35.35 88.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 63.22 112.493 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.99 -20.94 20.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.32 . . . . 75.43 111.193 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.99 -41.04 68.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 71.41 110.867 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.2 m -66.95 -18.02 65.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 72.14 110.868 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.0 t -70.32 -20.56 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 53.23 111.123 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -86.16 -59.31 2.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 71.44 110.855 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.17 -21.76 24.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 63.02 111.112 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.6 -37.8 26.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.797 -0.716 . . . . 70.24 112.471 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.54 -25.1 22.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.813 0.339 . . . . 74.24 110.889 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 mp -76.03 -40.11 54.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 73.11 110.877 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mp -72.03 -48.66 48.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 75.23 111.119 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -53.84 -60.49 3.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 74.2 110.878 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 mp -50.78 -36.11 35.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 75.14 110.927 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -55.7 -35.8 66.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 63.42 110.832 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -90.58 -39.07 12.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 72.52 110.919 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -177.77 -35.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 63.22 110.873 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.61 -26.96 15.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 63.21 112.488 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.05 -105.36 1.81 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 70.24 112.504 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 151.64 -150.23 22.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 71.32 112.511 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.85 -137.03 24.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 73.52 112.474 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.17 167.91 0.8 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.721 -0.752 . . . . 74.4 112.482 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -96.13 -178.78 35.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.742 . . . . 72.24 112.49 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -10.73 29.29 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.666 2.244 . . . . 72.24 112.332 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.11 -33.89 32.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 73.25 110.899 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -65.75 -41.25 92.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 73.25 110.916 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.84 -30.52 71.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 74.5 110.894 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.5 t -88.71 -27.97 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 75.04 111.131 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.1 t -80.88 -28.43 11.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 72.34 111.155 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.8 -24.68 22.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 72.01 110.875 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.8 p -88.87 -28.12 5.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 72.14 111.154 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.5 mm -91.26 -25.91 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 74.14 111.119 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.484 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.7 mt-10 -51.3 -60.19 6.26 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.613 0.72 . . . . 75.32 110.902 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.9 Cg_endo -69.71 -33.96 15.71 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.698 2.265 . . . . 75.51 112.356 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.1 m -63.49 -32.23 73.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 75.1 110.927 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -51.99 -52.53 49.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.887 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.02 -25.22 43.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 70.51 110.908 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.31 -24.93 34.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 74.12 110.886 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.27 -39.02 78.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 65.44 110.862 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -57.12 -27.26 61.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.922 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.5 mt -67.53 -32.91 74.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 74.1 110.926 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.0 m -62.41 -21.96 65.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 74.41 111.16 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.06 -11.24 55.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.693 -0.765 . . . . 74.55 112.493 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.5 tp -90.98 -12.47 35.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 72.44 110.941 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -94.85 -32.05 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 75.23 111.136 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -86.27 1.14 52.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 65.34 110.892 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.97 -71.24 0.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 70.44 110.911 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -135.3 75.46 58.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 63.43 110.932 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 134.34 27.73 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.675 2.25 . . . . 71.22 112.351 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.0 m -61.7 -17.4 55.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 75.21 111.123 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -177.6 -172.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.845 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.8 t -62.09 -17.55 57.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 51.52 110.857 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -172.36 39.1 0.16 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.749 . . . . 71.44 112.507 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -86.15 -41.17 14.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 70.5 110.846 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -81.07 -28.75 35.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 71.13 110.91 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 7.5 mtt -76.89 -48.45 18.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 71.24 110.891 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.6 t -54.64 -30.88 56.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 70.32 111.134 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -86.64 -19.98 28.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 71.35 110.874 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.2 p -83.9 -26.3 29.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 63.34 110.913 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.09 -34.22 24.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 74.35 110.906 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.9 t -62.16 -18.03 59.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 75.15 110.864 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.5 t -84.13 -22.98 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 75.11 111.153 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 56.4 mt -81.37 -35.66 30.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 64.12 110.906 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -79.62 -34.09 40.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 74.43 110.941 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.1 p -81.07 -19.93 42.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 75.44 110.848 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.0 tp -70.8 -45.93 63.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 73.01 110.908 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.8 t -53.75 -27.26 27.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 74.21 111.129 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.14 -31.13 61.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 75.35 110.859 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.58 -23.33 32.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 73.11 110.871 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -83.02 -22.98 33.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 73.4 110.96 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -67.34 -32.52 73.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 75.25 110.897 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -12.61 61.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 73.4 110.926 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -52.01 -24.55 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 73.42 111.112 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -57.62 -20.75 14.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 74.42 111.177 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -87.26 -18.95 29.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 72.13 110.885 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.27 -68.63 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 74.2 110.88 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.9 mp -138.58 74.01 40.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.604 0.716 . . . . 75.44 111.168 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 176.78 6.28 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 71.5 112.394 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.7 p -151.5 -170.01 3.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 74.45 110.867 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 32.3 p -51.74 160.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 75.12 111.171 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.77 6.68 40.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 63.52 110.854 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 67.7 m -82.85 -46.23 13.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 42.22 110.891 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -85.02 -17.01 38.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 74.31 111.085 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.519 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -51.74 -57.54 14.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 75.01 111.084 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.0 Cg_endo -69.78 -13.25 34.37 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.7 2.267 . . . . 62.24 112.336 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.51 -58.04 2.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 75.21 110.919 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 7.3 tt -56.17 -24.89 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 74.25 111.136 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -69.87 -21.34 76.64 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.717 -0.754 . . . . 75.24 112.504 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -86.76 -49.92 7.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 64.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -53.24 -36.96 61.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 73.53 110.9 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 33.9 mtm -59.46 -43.47 93.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 75.33 110.9 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.05 -27.01 67.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 73.43 110.9 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -52.36 -36.83 54.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 74.05 110.914 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 70.1 p -76.69 -49.55 15.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 75.25 111.087 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -58.48 -22.47 55.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 73.44 110.91 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.43 -35.72 21.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 71.44 110.891 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -65.92 -24.42 66.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 75.42 110.858 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 96.3 t -58.11 -24.18 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 72.44 111.133 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -62.26 -20.05 63.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.903 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 36.4 m -58.04 -23.68 55.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.876 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.0 m -68.18 -56.35 9.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 71.11 110.816 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 34.0 pt -66.21 -26.66 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 72.55 111.151 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 27.9 tttt -78.76 -29.9 45.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 74.04 110.955 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 32.5 mt -83.69 -47.05 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 74.2 111.136 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 21.5 p -67.82 -22.52 65.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 71.52 111.123 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -18.67 47.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 72.12 110.916 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -82.0 -21.2 37.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 75.23 110.936 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -69.76 -21.08 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 72.1 111.117 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.5 pp -63.92 -22.99 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 74.12 111.104 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.453 ' ND2' ' HG1' ' A' ' 136' ' ' THR . 0.1 OUTLIER -51.92 -35.42 45.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 75.55 110.896 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.453 ' HG1' ' ND2' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -95.98 -22.39 17.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.105 -0.498 . . . . 74.12 111.12 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -78.5 -3.61 44.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 71.11 110.871 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.12 -18.25 10.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 72.01 110.839 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.15 -37.86 6.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 75.31 110.896 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.852 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.787 0.327 . . . . 72.54 110.904 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.41 157.36 14.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 73.2 111.148 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -96.19 -66.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 72.25 110.823 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -174.76 171.9 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 73.31 110.879 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -159.07 -66.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 73.03 110.881 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -104.83 147.17 28.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.881 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.01 150.28 27.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 73.21 110.867 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -127.93 111.0 13.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 74.13 110.864 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.35 -47.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 75.11 111.075 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.5 mmt -80.17 -44.57 19.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 74.11 110.842 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.27 -18.9 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 74.21 111.156 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.45 -28.55 7.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 75.33 111.092 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -75.14 -19.78 59.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.881 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -73.7 -31.55 63.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.865 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.4 mm -74.3 -25.17 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 74.01 111.161 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.84 -42.91 72.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.894 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -66.7 -18.84 65.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 65.13 110.907 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -76.8 -40.67 47.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 73.54 110.922 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.1 -27.85 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 55.01 111.118 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -80.82 -18.9 45.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 74.2 110.922 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -67.27 -50.19 61.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 72.53 110.874 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -33.72 75.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 73.45 110.917 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.7 mt -53.53 -35.14 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 74.11 111.158 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.99 -22.9 39.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 75.51 110.916 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -81.66 -58.39 3.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 73.03 110.919 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -55.61 -25.53 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 72.44 111.177 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.78 -34.37 89.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 73.54 112.452 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.1 p -91.93 -21.03 20.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 73.01 111.175 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.43 -28.22 66.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 75.3 110.905 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.2 m -81.84 -17.99 45.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 72.04 110.863 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.6 t -69.62 -20.46 23.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 75.25 111.142 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -86.22 -59.16 2.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 73.12 110.888 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.88 -22.42 37.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 62.45 111.088 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.09 -39.4 27.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 75.41 112.44 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.23 -23.9 23.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 75.23 110.839 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -76.15 -39.41 55.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 73.1 110.886 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.36 -40.61 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 73.11 111.104 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -63.1 -59.14 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 72.53 110.918 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -50.55 -35.94 32.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 72.21 110.903 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.79 -37.8 77.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 52.53 110.844 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -84.91 -38.97 18.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 74.5 110.926 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -179.43 -34.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.876 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.26 -27.95 14.97 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.73 -0.748 . . . . 74.42 112.482 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.02 -169.62 50.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 53.11 112.483 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.67 -142.69 4.41 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 73.12 112.507 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 54.32 -137.0 42.4 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.739 -0.743 . . . . 73.31 112.441 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.48 178.69 0.4 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 70.51 112.493 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.64 -178.53 28.3 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 73.43 112.532 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -10.74 29.29 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.7 2.267 . . . . 75.55 112.335 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.25 -21.97 39.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 73.11 110.88 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -80.08 -31.98 39.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 73.31 110.946 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -30.57 71.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 70.14 110.879 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.2 t -88.83 -27.95 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 72.31 111.096 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.4 t -80.86 -28.45 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 63.41 111.109 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -24.55 22.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 75.22 110.874 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.8 p -89.12 -27.98 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 74.55 111.109 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 15.4 mm -91.28 -26.04 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 71.04 111.084 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.485 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -51.38 -60.3 6.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.658 0.742 . . . . 64.55 110.875 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.7 Cg_endo -69.75 -33.35 16.79 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.689 2.259 . . . . 75.42 112.324 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.9 m -63.65 -30.97 72.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 74.02 110.842 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -52.98 -50.44 64.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 65.23 110.919 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.12 -25.74 47.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 74.25 110.866 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.1 -24.87 37.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 73.02 110.903 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.2 m -52.86 -34.37 54.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 75.42 110.82 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.69 -26.24 43.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 73.51 110.91 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.1 mt -70.24 -35.44 73.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 75.44 110.903 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.0 m -62.73 -20.68 65.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 74.13 111.149 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.51 -13.4 41.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.726 . . . . 73.43 112.484 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.1 tp -91.04 -9.67 44.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.902 0.382 . . . . 74.1 110.966 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -95.0 -31.9 4.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 74.13 111.17 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -97.01 1.14 49.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 75.13 110.919 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -119.24 -60.86 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 74.45 110.922 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.8 mt -140.11 74.57 30.45 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.617 0.722 . . . . 75.44 110.885 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 129.48 17.66 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.667 2.245 . . . . 74.44 112.312 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.3 m -58.24 -21.96 50.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 74.31 111.14 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -176.81 -171.63 0.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 71.43 110.873 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -16.94 59.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.857 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.9 29.0 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 64.41 112.518 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -82.6 -47.39 12.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 64.31 110.906 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -34.67 57.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.35 110.908 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 16.4 mtt -68.07 -55.57 12.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 65.51 110.892 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 t -53.65 -27.55 27.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 75.35 111.148 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -80.77 -30.53 36.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 72.55 110.911 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.01 -21.02 29.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 73.12 110.848 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -77.67 -52.97 8.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 74.33 110.908 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.8 t -62.13 -17.99 59.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.857 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.4 t -73.63 -31.85 33.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 73.22 111.139 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.2 mt -70.3 -33.23 71.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 74.5 110.911 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.96 -28.16 27.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 72.33 110.926 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.3 m -87.25 -19.95 27.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 63.13 110.876 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.36 -44.25 62.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 71.53 110.923 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.5 t -54.28 -26.76 30.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 70.11 111.135 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -27.19 36.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 74.45 110.903 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.49 -29.76 52.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 72.11 110.914 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.4 tp -83.16 -28.34 29.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 73.41 110.878 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -65.17 -30.78 71.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 73.32 110.857 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -12.7 61.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 75.22 110.865 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -52.1 -24.7 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 61.33 111.126 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 56.9 t -58.21 -20.46 15.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 74.44 111.171 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -88.11 -16.0 34.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 70.33 110.876 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.4 -70.96 0.72 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 73.03 110.935 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.7 mp -128.85 73.76 81.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.602 0.715 . . . . 71.14 111.119 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 113.44 3.37 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 74.2 112.336 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.0 m -75.08 -70.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 62.31 110.897 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.2 p -138.42 179.73 6.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 60.32 111.125 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.8 m -121.97 0.5 9.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.833 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.65 -37.34 7.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 71.23 110.869 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.23 -17.48 52.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 62.42 111.156 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.527 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -52.67 -57.58 15.3 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.64 0.734 . . . . 74.1 111.148 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.5 Cg_endo -69.76 -13.59 34.89 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 73.41 112.352 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.46 -53.49 6.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.948 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 8.4 tt -71.88 -24.62 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 75.54 111.13 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -55.76 -23.81 38.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.723 . . . . 74.31 112.462 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -84.59 -40.77 17.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.777 0.322 . . . . 74.33 110.94 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -61.75 -39.57 92.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 74.13 110.933 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 11.3 mtp -59.2 -35.29 73.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 65.25 110.897 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.9 tt -71.94 -25.39 61.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 75.31 110.918 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -52.12 -35.58 48.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 74.34 110.86 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 22.9 m -75.58 -39.59 57.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 75.32 111.105 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.45 -32.26 73.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 75.21 110.894 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.63 -41.1 76.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 74.55 110.882 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -61.26 -22.77 65.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 74.2 110.845 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 89.5 t -57.86 -23.53 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 71.35 111.157 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -59.62 -22.62 62.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 71.53 110.845 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 39.7 m -57.33 -24.38 54.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 60.53 110.897 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.28 -54.91 38.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 71.22 110.873 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 38.7 pt -70.53 -26.26 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 71.55 111.125 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -72.24 -27.88 62.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 74.54 110.916 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 30.3 mt -84.95 -33.7 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.54 111.142 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 40.0 p -63.46 -22.51 66.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 75.41 111.167 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -60.16 -18.5 48.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 73.41 110.848 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -85.54 -19.65 30.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 62.44 110.87 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.91 -26.81 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 73.21 111.113 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -30.9 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 74.11 111.143 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -22.1 61.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.866 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.99 -44.01 7.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 73.03 111.143 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -65.47 -15.07 62.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 64.44 110.895 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -92.44 -49.2 6.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 75.32 110.819 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -52.03 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 74.12 110.841 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.886 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.743 0.306 . . . . 70.44 110.886 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.29 129.89 16.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 65.54 111.09 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -103.75 132.79 49.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 71.14 110.846 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -81.93 167.08 19.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 75.23 110.824 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -174.47 -179.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 73.01 110.893 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -124.73 144.35 50.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 71.22 110.898 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 63.13 104.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 65.13 110.847 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -72.65 108.63 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.31 110.87 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.2 -47.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 72.44 111.135 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -44.51 19.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 62.51 110.898 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 t -90.33 -18.93 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 74.31 111.132 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.37 -28.56 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 71.43 111.164 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.53 -19.84 60.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 73.11 110.903 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -83.12 -20.88 33.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 75.31 110.895 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -73.94 -24.97 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 75.24 111.121 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.5 tp -52.84 -49.19 66.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 75.12 110.904 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.95 -18.84 65.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 71.2 110.886 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -40.04 48.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 73.05 110.881 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.08 -27.7 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 74.35 111.168 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -80.91 -18.91 45.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 64.33 110.933 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -69.39 -34.9 75.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 60.3 110.869 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -35.95 74.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.53 110.864 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.0 mt -51.96 -38.25 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 74.02 111.148 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.1 m -81.0 -23.6 38.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.893 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -77.56 -57.79 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 73.34 110.861 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.9 pp -51.67 -30.02 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 74.34 111.122 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.19 -41.81 98.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.749 . . . . 74.32 112.528 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -28.24 25.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.756 0.312 . . . . 71.3 111.152 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -79.79 -31.64 40.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 73.11 110.899 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.2 t -81.97 -27.23 33.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.44 110.877 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.3 t -59.67 -20.52 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 74.12 111.118 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.77 -56.48 3.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 74.55 110.89 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.12 -23.35 33.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 73.22 111.095 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.73 -40.76 44.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 74.21 112.49 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.0 mmm-85 -88.83 -21.86 23.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 74.21 110.828 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -78.71 -36.17 43.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 73.32 110.876 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.11 -40.07 57.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 73.14 111.125 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.0 -45.82 63.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 74.51 110.892 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 mp -51.73 -30.66 23.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 72.34 110.913 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.06 -35.16 49.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 74.13 110.899 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -50.85 103.96 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 75.5 110.951 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -131.21 4.39 4.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 63.22 110.897 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.29 -30.15 69.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.792 -0.718 . . . . 71.15 112.44 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 131.08 89.34 0.49 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 71.43 112.528 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.08 -151.88 13.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 51.14 112.513 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -145.66 -81.69 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.755 -0.736 . . . . 44.14 112.495 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.16 165.28 1.28 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 73.11 112.539 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -99.65 -164.93 29.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.747 . . . . 61.33 112.528 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -9.99 27.45 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.688 2.259 . . . . 72.43 112.354 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.4 mt -73.25 -21.99 60.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 72.41 110.923 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -28.16 49.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 75.41 110.943 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.98 -38.85 86.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 75.44 110.903 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.34 -26.35 6.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 75.24 111.131 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t -75.94 -31.93 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 73.52 111.124 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.25 -24.75 22.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 75.33 110.886 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.9 t -85.8 -45.15 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 72.31 111.118 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.7 mm -75.17 -22.41 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 73.52 111.1 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.475 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.69 -60.67 5.49 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.681 0.753 . . . . 74.22 110.918 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.2 Cg_endo -69.75 -26.31 27.74 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.663 2.242 . . . . 70.2 112.312 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -35.6 80.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 75.01 110.874 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -54.69 -57.75 10.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.54 110.898 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -55.62 -25.7 40.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 74.21 110.906 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -84.31 -24.9 29.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 75.54 110.899 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.9 m -56.46 -41.35 76.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 75.52 110.83 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -68.44 -26.46 65.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 75.34 110.908 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 72.7 mt -69.13 -38.8 79.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 75.02 110.952 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.4 m -62.63 -17.43 60.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 73.22 111.112 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.39 -13.34 38.9 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 44.04 112.492 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.7 tp -91.04 -9.36 46.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.892 0.377 . . . . 75.23 110.917 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -95.01 -31.68 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 74.24 111.127 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -98.15 1.09 47.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 75.34 110.856 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -123.15 -58.42 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.492 . . . . 71.44 110.935 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 tt -113.79 73.5 2.25 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.557 0.694 . . . . 75.32 110.894 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 129.08 16.97 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.625 2.216 . . . . 74.53 112.357 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.7 m -100.44 -17.55 17.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 64.12 111.201 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -178.04 -170.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.795 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.3 p -63.29 -16.37 60.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 72.14 110.873 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.86 38.29 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 64.21 112.505 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -69.79 -68.57 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 72.21 110.9 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -55.58 -27.29 48.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 75.14 110.897 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.9 mtt -77.58 -61.04 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 74.55 110.869 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 t -58.24 -26.18 62.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 73.21 111.088 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -76.64 -29.23 56.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 74.12 110.866 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 51.1 m -85.0 -25.94 27.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 64.01 110.859 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -65.21 -24.48 67.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 74.31 110.901 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.07 -17.93 59.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.873 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.2 t -77.31 -23.03 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 70.25 111.147 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.1 mt -68.6 -35.89 77.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 61.45 110.974 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -79.03 -34.75 43.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 73.45 110.883 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 t -81.04 -19.99 42.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 74.04 110.88 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.0 tp -71.31 -46.03 61.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 74.54 110.94 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.9 t -53.85 -27.3 29.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 72.43 111.159 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.5 -35.76 60.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 71.15 110.906 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -83.57 -22.94 32.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 72.43 110.914 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.9 tp -82.52 -23.0 34.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 75.42 110.884 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -67.66 -32.83 73.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 72.41 110.905 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -12.49 60.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 73.45 110.868 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.32 -24.75 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 72.05 111.093 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 70.8 t -57.2 -23.29 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 73.33 111.131 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -89.5 -13.74 36.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 71.55 110.867 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -104.4 69.4 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 74.55 110.966 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.4 mp 49.93 79.88 0.32 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.625 0.726 . . . . 74.41 111.181 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 151.99 69.08 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.653 2.235 . . . . 74.23 112.325 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 p -82.56 -179.95 7.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 64.45 110.87 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 30.4 p -59.21 -178.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 72.53 111.139 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.48 1.46 41.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 61.32 110.865 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.0 -35.18 12.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 74.04 110.882 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.13 -19.45 43.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 71.22 111.137 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.525 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -61.49 -57.51 24.62 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.615 0.721 . . . . 75.43 111.139 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.4 Cg_endo -69.79 -17.71 37.29 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.247 . . . . 72.05 112.363 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.6 mt -83.78 -55.07 4.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 74.15 110.912 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -60.24 -23.9 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 71.32 111.135 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -71.57 -23.75 77.65 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.72 -0.752 . . . . 72.31 112.516 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -78.06 -51.67 9.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 75.3 110.881 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -63.96 -19.05 64.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 72.54 110.904 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -64.93 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 72.31 110.873 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 36.1 mt -72.49 -25.02 61.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.261 -0.427 . . . . 74.14 110.886 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -52.0 -34.91 44.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 71.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 86.7 m -78.69 -30.8 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 71.35 111.138 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -38.25 72.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 75.32 110.902 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.67 -45.32 87.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 73.35 110.855 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -52.04 -31.58 30.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 72.22 110.871 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 92.8 t -54.54 -26.76 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 70.31 111.114 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -62.4 -19.95 63.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 73.44 110.88 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 7.2 m -54.81 -27.45 41.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 74.54 110.839 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.4 m -66.92 -56.56 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 63.43 110.81 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 24.6 pt -66.53 -24.1 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 73.41 111.126 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.9 tttm -70.77 -57.49 4.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 73.12 110.896 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 28.7 mt -61.4 -47.85 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 71.01 111.118 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.7 p -58.75 -22.54 58.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 72.51 111.133 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -60.02 -18.63 47.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 74.02 110.866 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -83.64 -25.47 30.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 74.2 110.9 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.76 -19.13 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 70.53 111.147 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.7 pp -63.09 -23.73 34.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 75.21 111.117 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.09 -31.77 32.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 74.11 110.884 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.93 -25.36 18.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 70.14 111.137 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -32.97 65.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.845 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -77.01 -46.79 22.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 73.51 110.864 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -56.92 -71.03 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 74.31 110.861 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 63.44 110.853 -179.799 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ttp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.817 0.341 . . . . 75.51 110.896 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.86 151.03 42.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 74.51 111.11 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -158.72 91.97 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 71.43 110.867 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -123.66 176.8 6.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 73.43 110.885 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -158.04 129.62 6.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 72.23 110.871 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.13 -176.31 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 71.33 110.877 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.14 172.6 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.853 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -131.16 106.17 8.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 74.45 110.848 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.43 -47.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 72.4 111.1 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 32.1 mmt -80.24 -44.56 19.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 72.32 110.868 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.4 m -90.3 -18.96 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 64.51 111.096 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.46 -28.48 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 63.11 111.108 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.22 -23.43 62.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 62.12 110.887 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.37 -31.46 26.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 74.2 110.847 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.8 mm -56.05 -25.04 18.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 74.13 111.124 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.4 tp -51.98 -51.99 53.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 74.12 110.933 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -66.07 -18.8 65.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 73.12 110.898 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -76.99 -40.32 47.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 65.54 110.859 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.12 -27.78 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 74.32 111.136 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -80.83 -18.95 45.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 73.03 110.923 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -68.36 -53.55 23.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 74.44 110.844 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -41.29 71.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 74.14 110.905 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 80.4 mt -52.48 -35.53 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 63.44 111.174 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.2 m -81.0 -25.56 37.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 72.35 110.919 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.24 -54.15 6.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 75.45 110.863 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.9 tp -56.49 -24.54 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 75.24 111.108 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -80.33 -15.98 77.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 74.41 112.474 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.0 m -91.99 -23.5 19.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.755 0.312 . . . . 71.04 111.11 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -84.04 -41.04 17.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 72.52 110.882 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.5 m -62.23 -17.99 59.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 72.35 110.839 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.6 t -60.0 -20.81 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 73.12 111.117 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -87.76 -55.05 3.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 51.43 110.911 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.45 -25.91 18.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 72.31 111.126 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.01 -40.51 88.7 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.742 . . . . 73.03 112.507 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.44 -21.48 22.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.818 0.342 . . . . 73.41 110.892 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mp -78.89 -35.62 43.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 64.31 110.938 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mp -76.18 -50.3 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 73.25 111.088 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.9 -56.45 20.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 74.4 110.903 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mp -51.48 -36.33 43.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 72.04 110.864 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -57.24 -39.42 75.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 61.53 110.843 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -85.13 -41.54 15.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 63.4 110.955 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.76 -35.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 71.43 110.919 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.63 -28.2 14.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.716 -0.754 . . . . 62.4 112.466 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 52.18 -153.68 5.76 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 44.43 112.478 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.33 -114.72 0.3 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 73.1 112.521 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.14 -121.03 12.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 72.45 112.48 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.22 158.53 3.2 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.781 -0.724 . . . . 75.35 112.479 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.45 -164.93 28.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 74.33 112.476 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -9.93 27.3 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.274 . . . . 75.12 112.319 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 mt -73.36 -21.95 60.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.45 110.903 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -36.64 58.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 74.3 110.927 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -30.49 71.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 74.34 110.88 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.2 t -88.63 -27.92 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 74.43 111.122 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 38.7 t -80.8 -28.98 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 75.01 111.14 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.15 -24.89 23.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.884 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.8 p -88.62 -28.31 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 63.32 111.129 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.0 mm -91.15 -25.88 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 73.4 111.151 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.1 mm-40 -51.01 -60.16 6.15 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.667 0.746 . . . . 73.41 110.857 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.5 Cg_endo -69.78 -34.27 14.85 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.706 2.271 . . . . 74.34 112.336 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.1 m -63.91 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 63.11 110.916 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -56.92 -57.63 11.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 75.2 110.887 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.54 -25.74 39.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 75.33 110.905 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -85.06 -24.86 27.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 75.51 110.848 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.65 -39.38 61.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 73.51 110.84 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -76.25 -24.44 54.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 72.33 110.913 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.9 mt -72.87 -45.23 59.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 74.44 110.929 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.3 t -73.64 -7.49 52.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 54.23 111.154 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -106.39 -18.61 10.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 70.31 112.471 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -91.04 -22.14 20.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 75.53 110.887 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.4 t -89.19 -30.52 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 71.43 111.109 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -91.77 -2.06 57.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 73.04 110.87 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -102.92 -65.11 1.02 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.471 . . . . 74.23 110.897 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.3 mt -153.11 73.0 7.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.593 0.711 . . . . 75.02 110.873 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 129.22 17.21 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.723 2.282 . . . . 65.23 112.36 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -115.59 43.83 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 71.25 111.163 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 178.01 168.47 0.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 73.11 110.855 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 m -68.41 -12.35 61.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 74.54 110.86 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 169.41 42.07 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.744 -0.741 . . . . 70.34 112.502 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -51.97 -61.2 2.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.956 0.408 . . . . 74.31 110.908 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -81.07 -23.18 38.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 74.21 110.879 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.0 mtt -64.51 -48.16 76.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.415 . . . . 72.44 110.897 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.8 t -53.46 -27.9 27.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 71.43 111.135 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -70.0 -33.02 71.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 75.23 110.888 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.7 t -64.37 -25.88 68.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 72.3 110.845 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.7 tttt -77.3 -27.88 53.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 73.35 110.931 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.1 t -87.07 -17.96 31.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 64.04 110.852 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 84.3 t -76.4 -25.85 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 71.1 111.154 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 53.5 mt -86.01 -35.38 20.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 72.22 110.894 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.09 -34.51 43.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 75.44 110.853 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.4 t -81.4 -19.97 41.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 72.42 110.848 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.1 tp -71.49 -46.61 59.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 72.21 110.9 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.6 t -53.32 -27.57 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 64.34 111.13 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -42.4 62.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.21 -0.45 . . . . 50.33 110.889 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.64 -22.81 32.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 70.04 110.878 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.68 -22.85 53.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 74.11 110.878 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -83.0 -39.5 21.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 72.45 110.864 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.32 -12.33 60.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 75.41 110.909 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.73 -24.47 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 74.04 111.137 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.0 -20.24 14.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 74.02 111.116 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -86.87 -16.85 34.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 73.55 110.904 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 tp -93.0 -67.2 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 70.14 110.913 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.3 mp -137.91 74.38 44.37 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.716 . . . . 75.44 111.12 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 146.17 59.13 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.674 2.249 . . . . 63.35 112.371 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 60.7 p -127.18 -170.02 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 63.02 110.89 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 30.1 p -51.9 163.84 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 70.43 111.117 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 t -89.74 5.15 47.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 72.43 110.863 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 57.7 m -88.6 -32.01 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 71.53 110.879 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.41 -16.95 53.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 74.53 111.122 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.525 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -62.04 -57.58 22.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.626 0.727 . . . . 72.51 111.108 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.2 Cg_endo -69.72 -18.75 37.03 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.697 2.265 . . . . 74.3 112.36 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.42 -49.86 8.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 75.22 110.887 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.1 tt -56.79 -24.17 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 70.24 111.093 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -52.79 -27.18 27.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 54.04 112.477 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -75.93 -51.87 11.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.792 0.329 . . . . 75.21 110.914 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -69.28 -19.03 63.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 72.13 110.903 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.29 -64.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 75.03 110.916 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.71 -24.98 61.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 74.25 110.899 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -52.08 -55.32 21.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.847 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 97.2 m -63.53 -24.8 67.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 75.15 111.13 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -75.53 -41.12 55.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 72.3 110.864 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -62.22 -43.04 99.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 75.22 110.869 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -52.97 -33.74 52.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 75.23 110.879 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 28.1 t -54.86 -26.35 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 73.44 111.159 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.15 -19.98 62.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 74.25 110.934 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.0 m -57.88 -39.64 78.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 74.2 110.86 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -56.52 20.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 75.54 110.833 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 25.8 pt -66.24 -24.28 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 74.24 111.135 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -70.79 -55.08 9.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 73.52 110.904 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 22.8 mt -57.09 -38.74 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 74.13 111.138 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 20.4 p -78.45 -22.54 47.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 71.51 111.155 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.19 -18.42 48.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 75.45 110.873 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -84.74 -19.85 32.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 73.1 110.852 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.66 -25.7 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 70.31 111.122 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.67 -22.87 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 75.24 111.121 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -82.4 -25.39 33.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 75.52 110.87 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.08 -43.99 7.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 74.33 111.134 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -60.56 -39.38 87.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 71.22 110.869 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -64.58 -43.86 92.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 63.21 110.835 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 11.3 mtt-85 -51.98 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 75.01 110.859 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 71.34 110.823 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.809 0.338 . . . . 75.54 110.936 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.46 178.85 6.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 73.45 111.128 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -133.55 145.85 50.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 65.5 110.84 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -133.59 179.57 6.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 71.32 110.857 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -123.22 60.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 73.13 110.876 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.47 -173.27 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.851 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.24 171.1 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.874 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.8 116.17 25.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 73.43 110.852 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.8 -47.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 71.45 111.085 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.19 -44.46 19.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 75.11 110.867 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.36 -18.96 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 74.12 111.107 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.42 -28.47 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 73.33 111.114 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -79.35 -19.77 49.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 73.44 110.859 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -81.2 -43.01 19.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 73.14 110.853 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.3 mt -56.63 -25.15 20.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 71.52 111.13 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.4 tp -55.68 -38.07 69.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.927 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -18.82 65.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 74.22 110.92 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.77 -40.65 47.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 75.22 110.939 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.1 -27.76 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 72.14 111.132 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -80.8 -19.02 45.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 75.11 110.872 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -67.52 -54.93 15.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 72.22 110.886 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -39.42 79.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 74.44 110.934 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.9 mt -51.69 -34.91 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 75.43 111.186 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.97 -55.6 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 72.33 110.902 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -56.55 13.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.896 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.2 tp -54.4 -26.96 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 72.34 111.145 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.4 -36.23 92.4 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 70.31 112.477 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.0 -20.97 20.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.771 0.32 . . . . 71.23 111.141 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -72.68 -39.57 66.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.863 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.34 -18.0 63.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 72.34 110.827 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.6 t -61.08 -20.51 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 72.22 111.181 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -86.26 -59.25 2.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 74.21 110.873 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.73 -22.63 24.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 75.53 111.146 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.06 -38.71 29.39 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.744 -0.741 . . . . 75.22 112.492 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.54 -23.38 23.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.811 0.339 . . . . 74.44 110.905 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mp -77.33 -39.16 48.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 71.5 110.88 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mp -74.13 -40.63 51.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 75.51 111.14 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -65.01 -58.67 5.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 75.43 110.878 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.6 mp -50.55 -35.8 31.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 73.32 110.942 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.9 t -58.65 -38.68 78.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 70.43 110.849 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -84.13 -40.13 18.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 72.53 110.892 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -179.57 -34.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 74.32 110.938 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.95 -23.74 33.01 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 62.05 112.512 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.79 -176.57 5.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 75.23 112.458 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -140.34 -110.52 0.87 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 64.41 112.499 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.58 -128.99 37.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 65.11 112.47 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.06 -179.83 0.42 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.685 -0.769 . . . . 24.33 112.461 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.49 179.92 51.51 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 73.54 112.447 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -10.87 29.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.643 2.229 . . . . 74.42 112.329 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.28 -21.96 45.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 74.3 110.913 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.57 -29.43 66.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 74.15 110.92 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -60.79 -62.06 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 74.43 110.895 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.73 -26.56 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 73.05 111.14 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 t -72.63 -32.97 43.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 74.23 111.096 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -89.16 -24.66 22.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.866 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.5 t -85.93 -44.94 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 74.53 111.129 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.5 mm -75.21 -22.56 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 73.51 111.097 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.479 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.1 mt-10 -51.89 -60.52 5.91 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.608 0.718 . . . . 74.32 110.893 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.9 Cg_endo -69.76 -25.92 28.11 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.676 2.251 . . . . 74.21 112.335 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -35.93 81.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.873 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -58.99 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.876 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -55.72 -25.55 40.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 75.32 110.901 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -83.41 -24.79 31.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 73.3 110.92 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.09 -42.86 95.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 74.11 110.83 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -64.15 -28.47 69.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 75.32 110.898 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.6 mt -66.67 -38.04 85.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 70.35 110.919 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.4 p -62.91 -16.25 58.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 65.13 111.122 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.06 -13.47 36.57 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 72.2 112.49 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.1 tp -91.03 -11.99 37.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.8 0.334 . . . . 74.12 110.906 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -95.04 -31.8 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 65.35 111.105 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -96.34 1.02 51.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 73.42 110.879 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -126.88 -48.08 1.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 75.43 110.882 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 26.9 tp -117.65 68.31 5.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.65 0.738 . . . . 73.02 110.924 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 129.19 17.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.713 2.275 . . . . 75.53 112.35 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.5 m -109.67 -16.65 13.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 74.33 111.095 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -177.91 -171.24 0.28 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 71.21 110.883 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.81 -16.81 59.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.907 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.0 39.16 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.782 -0.723 . . . . 71.31 112.526 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.67 -58.35 5.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 74.43 110.924 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -69.33 -29.78 67.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 75.14 110.886 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 11.0 mtt -72.16 -58.27 3.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 71.44 110.899 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.4 t -56.71 -26.46 56.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 64.12 111.117 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -78.18 -22.05 49.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 72.24 110.869 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.0 m -84.99 -25.89 27.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 74.35 110.86 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -66.54 -35.72 80.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 71.43 110.892 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.14 -18.03 59.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 60.54 110.862 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.3 t -84.36 -23.28 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 75.14 111.108 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.6 mt -69.42 -35.74 76.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 71.41 110.936 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -79.03 -34.56 43.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 64.21 110.878 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.3 t -81.22 -20.04 41.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 72.24 110.873 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.1 tp -71.54 -46.13 60.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 74.23 110.944 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.1 t -53.79 -27.26 28.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.31 111.138 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -54.78 -30.79 57.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 73.52 110.909 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.58 -23.08 32.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 71.34 110.863 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.03 -40.75 19.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 73.11 110.893 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -62.76 -23.97 67.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 72.31 110.903 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -9.91 59.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 75.32 110.914 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -50.18 -25.21 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 64.02 111.158 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.1 t -58.27 -19.69 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 73.33 111.113 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -87.35 -14.93 39.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 75.13 110.863 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -110.55 -68.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.25 110.891 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.2 mm -122.42 72.83 39.44 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 74.05 111.074 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 116.54 4.61 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.718 2.279 . . . . 74.32 112.288 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.0 t -105.66 -170.18 1.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 62.53 110.863 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 33.5 p -52.6 138.3 28.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 73.3 111.109 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.55 -8.6 56.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 63.44 110.821 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.3 m -79.56 -31.5 41.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 70.04 110.856 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.92 -17.01 54.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 74.51 111.057 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.529 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -54.69 -57.56 18.49 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.611 0.719 . . . . 75.33 111.105 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.76 -31.76 19.88 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.65 2.233 . . . . 74.54 112.36 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -59.26 3.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 74.5 110.974 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.1 tp -56.14 -24.97 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 74.42 111.099 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.33 -21.04 46.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.727 . . . . 72.12 112.449 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -43.75 25.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 75.04 110.9 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -68.12 -21.69 64.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 72.24 110.906 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 12.3 mtp -68.18 -53.49 24.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 70.31 110.886 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 19.8 mt -56.36 -25.03 47.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 74.03 110.891 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -52.0 -30.17 24.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.852 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 3.2 m -80.0 -34.36 38.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 71.2 111.16 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.09 -28.1 57.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 74.55 110.871 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -85.48 -17.28 36.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 73.32 110.893 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.55 -44.05 62.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 75.42 110.869 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.19 -23.67 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 73.22 111.113 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -60.52 -20.19 59.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 75.25 110.852 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.5 t -69.68 -20.76 63.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 72.13 110.893 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.43 -55.94 6.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 73.03 110.879 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 28.5 pt -57.36 -25.08 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 72.32 111.095 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -78.13 -33.84 50.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 74.53 110.889 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 64.8 mt -76.45 -54.69 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 64.11 111.149 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.0 p -59.6 -22.49 61.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 72.31 111.165 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.18 -18.45 48.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 75.4 110.904 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.71 -19.85 32.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 74.35 110.89 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.67 -25.73 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 71.45 111.122 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.6 -22.94 14.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 73.42 111.107 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.37 -25.34 33.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.11 110.92 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.06 -44.02 7.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 72.52 111.163 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -60.36 -40.65 91.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 73.54 110.854 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -63.3 -43.05 98.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 74.53 110.871 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 12.3 mtt-85 -52.01 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 72.32 110.866 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 74.22 110.878 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 mtp . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.803 0.335 . . . . 64.01 110.894 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.59 167.58 21.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 73.51 111.1 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -135.4 117.01 14.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 64.25 110.878 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -104.78 -178.21 3.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 71.32 110.896 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.42 142.55 27.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 73.3 110.846 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -173.59 -169.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 72.54 110.838 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.1 166.5 22.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 75.53 110.852 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -169.75 123.86 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.841 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.22 -47.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 73.43 111.088 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 28.4 mmt -80.2 -44.51 19.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 74.14 110.905 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 t -90.29 -18.94 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 75.22 111.141 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.42 -28.46 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 74.24 111.145 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -72.37 -18.27 61.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 73.43 110.846 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -83.47 -47.48 11.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 72.25 110.81 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.0 mt -56.16 -24.98 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 73.54 111.109 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 tp -51.94 -51.46 56.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 75.55 110.883 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -65.38 -18.86 65.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.883 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.73 -40.26 49.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 73.31 110.95 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.16 -27.7 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 74.33 111.149 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -80.89 -18.97 45.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 64.45 110.901 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -68.32 -56.55 8.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 72.34 110.823 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -51.53 -41.05 60.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 73.23 110.934 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 68.0 mt -54.19 -34.76 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 72.22 111.157 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -25.72 61.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 65.21 110.911 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.99 -46.54 11.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 74.21 110.934 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.6 tp -56.48 -24.52 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 71.41 111.142 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.81 -41.7 93.44 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.771 -0.728 . . . . 54.43 112.478 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -27.66 28.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.754 0.311 . . . . 75.33 111.175 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -70.83 -38.84 73.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.9 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.6 p -82.04 -17.97 44.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 73.03 110.839 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.8 t -73.83 -20.76 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.22 111.091 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -87.6 -55.41 3.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 65.13 110.877 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.76 -25.93 21.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 75.42 111.102 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.5 -41.02 90.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 72.44 112.529 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.66 -21.84 22.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 75.12 110.891 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mp -77.89 -35.05 51.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.919 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mp -77.34 -52.41 16.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 73.11 111.088 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -54.75 -51.36 65.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 74.02 110.849 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.0 mp -50.87 -35.42 32.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 73.55 110.879 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 m -82.91 -29.6 29.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 72.23 110.864 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.486 HE22 ' N ' ' A' ' 108' ' ' ALA . 6.8 mm-40 -60.03 97.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 72.12 110.938 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -140.89 12.35 2.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 74.23 110.891 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.97 -25.56 55.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 73.43 112.504 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -131.41 -88.23 0.44 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 64.22 112.459 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 153.19 140.93 3.17 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.706 -0.759 . . . . 53.41 112.473 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.78 -169.28 38.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.711 -0.757 . . . . 73.43 112.458 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.35 -174.34 0.47 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 74.4 112.46 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -98.89 -165.05 30.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.717 -0.754 . . . . 73.13 112.481 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -9.98 27.42 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.708 2.272 . . . . 72.22 112.298 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mt -73.64 -29.67 62.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 75.54 110.932 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -35.47 77.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 74.13 110.891 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -64.62 -46.27 83.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 71.24 110.933 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.3 t -76.67 -29.38 18.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 71.53 111.172 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.0 t -76.18 -31.57 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 75.04 111.091 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.411 ' N ' HD21 ' A' ' 55' ' ' ASN . 1.6 m-80 -88.66 -24.89 22.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 72.02 110.883 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.6 t -86.06 -44.5 16.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 73.14 111.169 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.4 mm -75.31 -22.89 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 71.14 111.124 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.473 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.77 -60.46 5.96 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.67 0.748 . . . . 75.53 110.897 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.7 Cg_endo -69.8 -25.5 28.35 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.692 2.261 . . . . 73.34 112.354 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -33.17 75.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.32 110.904 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -55.76 -58.45 7.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.918 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -25.48 40.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 74.23 110.883 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -84.14 -24.93 30.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 74.33 110.893 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -40.26 69.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 64.4 110.877 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -68.92 -25.97 64.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 74.2 110.917 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 61.2 mt -70.12 -39.28 75.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 75.2 110.935 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.7 m -62.61 -17.65 60.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 73.33 111.163 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.11 -13.17 40.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.792 -0.718 . . . . 72.12 112.504 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.7 tp -91.01 -9.44 45.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.369 . . . . 71.5 110.914 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -94.98 -31.67 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 73.14 111.149 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -98.05 1.03 47.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 74.44 110.887 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -123.09 -58.61 1.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 72.31 110.908 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.2 tp -113.74 73.57 2.23 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.631 0.729 . . . . 75.22 110.909 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 129.06 16.95 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 72.54 112.334 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 49.0 m -100.63 -17.17 17.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 71.2 111.158 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -178.02 -170.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 74.01 110.862 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.5 t -62.98 -16.62 60.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 75.03 110.87 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.76 38.99 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 74.23 112.493 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.84 -69.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.946 0.403 . . . . 70.52 110.875 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -54.56 -26.94 35.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 73.55 110.929 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.4 mtt -78.16 -61.05 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 72.44 110.858 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 t -58.39 -26.25 63.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 73.32 111.14 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -77.49 -30.91 53.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 72.34 110.887 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 54.2 m -85.1 -25.69 27.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 71.4 110.847 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -65.41 -28.61 69.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 74.21 110.897 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.41 -18.06 62.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 73.51 110.833 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.8 t -79.91 -22.99 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 75.03 111.135 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.8 mt -68.71 -36.1 78.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 74.14 110.929 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.8 ttmm -79.32 -34.39 42.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 74.51 110.869 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -81.19 -19.96 42.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 75.53 110.844 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.1 tp -70.96 -46.04 63.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 72.41 110.9 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.8 t -53.57 -27.46 26.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 75.54 111.16 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -51.95 -39.6 59.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.905 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.7 -22.93 31.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 72.53 110.843 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.05 -41.1 62.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 70.22 110.936 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -64.32 -29.04 70.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 75.04 110.898 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -12.49 61.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 71.13 110.909 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.84 -24.31 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 75.51 111.115 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.25 -20.0 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 70.05 111.129 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.59 -15.75 36.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 75.21 110.9 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.96 -66.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 74.52 110.898 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -143.21 73.96 17.72 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.71 . . . . 73.24 111.103 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 79.07 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.722 2.281 . . . . 65.2 112.345 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.04 -74.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 74.51 110.861 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -155.41 176.99 11.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 74.13 111.157 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 34.2 m -88.26 7.41 32.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 54.43 110.833 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.4 m -83.1 -46.37 12.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 73.4 110.858 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.486 ' N ' HE22 ' A' ' 41' ' ' GLN . . . -79.84 -17.01 54.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 74.31 111.112 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.52 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -53.4 -57.52 16.6 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.62 0.724 . . . . 75.33 111.146 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.9 Cg_endo -69.75 -33.46 16.59 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.677 2.251 . . . . 74.43 112.321 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -51.95 -59.65 4.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 73.04 110.909 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 7.2 tt -56.12 -24.99 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 73.31 111.102 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -67.89 -32.76 78.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.72 . . . . 73.44 112.489 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -71.79 -46.56 57.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 74.13 110.915 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -77.8 -18.97 55.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 74.12 110.917 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -64.97 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 74.53 110.879 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.0 tt -60.66 -25.02 66.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 75.11 110.913 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -52.03 -30.31 24.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 71.11 110.881 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.1 m -87.05 -27.86 22.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 73.45 111.155 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.65 -44.8 66.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 72.43 110.881 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.09 -31.96 73.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 73.5 110.905 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -63.97 -25.99 68.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 75.25 110.884 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 12.3 t -68.2 -23.03 28.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 70.41 111.074 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.81 -20.03 65.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 72.14 110.906 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.9 m -75.22 -19.96 59.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 74.44 110.844 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.7 m -63.27 -40.49 97.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 43.15 110.814 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 1.7 mp -83.99 -24.8 7.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 75.55 111.09 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -46.91 31.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.896 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.4 tp -57.24 -28.14 29.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 75.41 111.163 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -22.55 55.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 72.12 111.155 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -60.02 -18.65 47.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 74.44 110.889 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.99 -31.91 25.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 75.41 110.909 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -19.97 19.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.495 . . . . 74.44 111.179 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.6 pp -61.18 -23.6 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 72.12 111.139 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -56.59 -33.88 66.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.885 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.17 -31.46 19.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 74.25 111.157 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -66.33 -33.47 75.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 72.3 110.864 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -76.77 -51.17 11.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.4 110.838 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -53.57 -69.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 64.44 110.843 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 74.3 110.872 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.739 0.304 . . . . 75.25 110.886 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 52.37 77.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 71.42 111.128 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -57.9 178.07 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 64.42 110.869 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.32 146.95 44.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 75.44 110.871 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -176.22 173.95 2.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 74.31 110.833 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -96.34 158.01 15.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.895 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.6 t60 57.97 71.56 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 73.5 110.892 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -53.33 106.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 72.05 110.816 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.58 -47.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 75.3 111.098 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -44.55 19.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 72.43 110.806 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 t -90.27 -18.95 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 65.25 111.118 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.49 -28.4 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 75.21 111.123 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -74.27 -20.51 60.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 53.43 110.851 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -83.05 -46.21 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.875 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.0 mt -56.25 -24.96 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 73.45 111.136 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.93 -54.1 33.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 71.53 110.933 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -61.61 -18.9 61.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.14 110.907 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 t -77.57 -38.53 48.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 74.41 110.895 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.14 -28.22 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 74.32 111.092 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.93 -18.97 45.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 72.45 110.874 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -71.52 -58.02 3.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.882 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -51.49 -41.37 60.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 72.45 110.935 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 59.7 mt -54.1 -34.98 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 75.52 111.129 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.2 m -81.02 -20.99 40.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 71.41 110.892 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -84.32 -59.04 2.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.872 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.2 tp -71.87 -19.99 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 74.41 111.174 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -78.65 -31.04 46.39 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 71.03 112.482 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 t -91.99 -21.0 20.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.732 0.301 . . . . 73.44 111.155 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -68.55 -32.8 73.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 65.44 110.9 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.99 -25.39 34.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 72.12 110.861 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.1 t -70.72 -20.51 22.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 73.14 111.101 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -87.33 -55.6 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 73.21 110.881 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.24 -26.05 16.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 73.23 111.081 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.62 -39.79 90.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 63.1 112.478 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.92 -23.35 22.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.341 . . . . 65.21 110.842 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -77.75 -35.5 51.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.93 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mp -75.83 -50.35 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 75.24 111.134 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -55.8 -57.09 13.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 65.54 110.916 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.1 mp -51.47 -36.59 45.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 75.12 110.896 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -56.36 -38.31 71.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 72.35 110.874 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -85.15 -39.88 17.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 62.14 110.888 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -179.45 -34.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 72.02 110.884 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.39 -26.27 16.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 71.25 112.465 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.61 -155.24 44.87 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.712 -0.756 . . . . 74.45 112.524 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -155.25 157.17 27.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 70.24 112.535 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.57 106.05 1.3 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 73.05 112.504 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.66 138.17 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 35.54 112.5 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.4 -165.39 26.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 72.13 112.5 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -9.38 25.96 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.676 2.251 . . . . 74.25 112.328 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mt -75.72 -40.28 55.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.934 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.8 -36.14 79.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 73.52 110.883 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -64.24 -43.48 94.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 73.21 110.885 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.2 t -78.9 -29.24 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 70.33 111.104 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 t -76.58 -30.97 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 74.21 111.153 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -88.7 -24.66 22.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 74.34 110.934 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.8 t -86.71 -44.27 16.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 75.33 111.153 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.4 mm -75.03 -23.35 17.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 71.01 111.105 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.475 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.8 mt-10 -51.97 -60.57 5.84 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.624 0.726 . . . . 73.33 110.864 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 54.0 Cg_endo -69.78 -23.8 30.32 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.707 2.271 . . . . 73.34 112.338 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -33.91 76.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 74.5 110.879 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -52.19 -57.83 8.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 73.14 110.855 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -25.38 41.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 73.52 110.918 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.05 -24.82 30.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 64.43 110.867 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.48 -39.59 67.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 74.2 110.827 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -65.3 -25.95 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 74.42 110.893 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.1 mt -67.9 -34.41 76.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 71.43 110.944 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.2 m -62.69 -19.37 63.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 70.14 111.151 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.2 -13.6 38.64 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.744 . . . . 65.03 112.515 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.9 tp -91.09 -9.31 46.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 73.23 110.881 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.99 -31.75 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 74.32 111.122 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -98.02 1.05 47.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.859 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -123.02 -58.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 71.52 110.956 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tt -113.78 73.6 2.27 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.661 0.743 . . . . 73.3 110.901 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 129.14 17.11 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.705 2.27 . . . . 73.14 112.327 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.2 m -103.41 -15.89 15.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 74.2 111.118 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -177.99 -170.71 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 74.2 110.881 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.24 -16.52 60.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 61.25 110.854 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.07 38.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.684 -0.769 . . . . 74.23 112.471 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.9 -55.01 16.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 73.5 110.923 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -77.11 -19.97 56.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 75.11 110.881 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.2 mtt -80.08 -51.64 8.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 64.03 110.883 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.6 t -56.27 -27.23 54.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 72.13 111.138 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -85.31 -19.91 30.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 75.12 110.884 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 75.3 m -82.84 -26.54 31.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 54.12 110.845 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.83 -37.8 39.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 75.25 110.901 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -17.93 59.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 73.31 110.858 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.31 -35.06 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 72.54 111.111 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 80.3 mt -86.06 -33.14 21.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 73.13 110.928 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -74.22 -37.81 63.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.5 110.921 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.6 t -81.1 -19.91 42.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.875 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 tp -77.52 -48.75 16.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 74.4 110.904 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.8 t -53.72 -27.54 28.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 74.23 111.114 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.84 -38.49 56.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 75.51 110.9 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.62 -22.94 32.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 74.54 110.874 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.5 tp -78.57 -22.95 46.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 72.54 110.912 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -66.33 -31.65 72.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 73.03 110.925 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -12.52 61.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 75.34 110.842 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -52.17 -24.41 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 71.32 111.141 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.7 p -58.59 -19.81 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.45 111.128 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -88.45 -13.95 39.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 65.13 110.93 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.3 mp -111.34 -69.61 0.86 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 65.22 110.856 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.0 mm -121.62 71.97 28.94 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.636 0.732 . . . . 74.01 111.089 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -170.9 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 74.2 112.332 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.0 p -128.16 -170.02 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 65.01 110.887 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 60.8 p -86.47 -178.49 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 75.15 111.129 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.69 -7.32 59.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 64.53 110.834 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.05 -31.94 8.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 75.33 110.833 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.6 -17.0 52.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 74.11 111.064 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.532 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -56.49 -57.56 22.5 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.645 0.736 . . . . 75.44 111.091 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.1 Cg_endo -69.81 -23.82 30.17 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.26 . . . . 63.03 112.364 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.33 -60.05 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 74.45 110.9 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 10.6 tp -66.41 -25.87 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 75.23 111.141 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.95 -26.12 69.91 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.706 -0.759 . . . . 73.43 112.482 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -84.52 -45.77 12.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.79 0.329 . . . . 71.22 110.877 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -57.24 -42.71 82.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 73.53 110.94 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -63.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 73.55 110.892 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.4 tp -61.67 -26.4 67.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 73.13 110.896 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -52.1 -60.89 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 63.25 110.884 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 54.9 m -58.84 -45.17 90.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.51 111.088 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.27 -32.36 66.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 72.04 110.87 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.74 -23.58 56.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 75.44 110.926 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -80.95 -24.47 38.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 72.22 110.894 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.1 t -58.47 -23.13 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 74.23 111.149 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -69.19 -23.07 63.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 75.15 110.882 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.9 -27.88 46.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 74.52 110.88 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.1 m -58.92 -40.68 85.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 71.44 110.89 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 1.8 mp -83.86 -38.76 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 71.42 111.105 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -50.44 63.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.904 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 23.3 mt -60.72 -55.28 25.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 73.52 111.108 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.08 -22.53 50.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 63.21 111.121 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -59.98 -18.62 47.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 73.5 110.94 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.0 -28.44 27.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 71.22 110.868 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.82 -19.53 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 72.41 111.122 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.6 pp -62.84 -23.17 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 75.14 111.157 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.13 -32.01 33.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 71.33 110.888 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.48 -36.69 11.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 70.31 111.151 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -20.21 66.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.34 110.846 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -87.12 -46.23 9.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.872 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -54.55 -73.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 75.33 110.852 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 74.32 110.87 -179.808 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ttm . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.776 0.322 . . . . 74.03 110.874 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.05 145.26 26.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 75.53 111.137 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -147.12 114.88 6.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 74.1 110.843 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -136.89 62.76 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.889 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -82.39 -179.67 7.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 63.55 110.878 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -108.87 48.77 0.84 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 62.55 110.88 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -165.59 161.34 18.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 71.33 110.835 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -130.76 109.07 10.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 74.31 110.832 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.89 -47.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 70.21 111.096 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 29.5 mmt -80.08 -44.51 19.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 72.21 110.918 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.7 t -90.31 -18.98 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 73.22 111.119 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.43 -28.52 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 73.13 111.138 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -74.18 -18.51 60.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 75.24 110.89 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -81.4 -44.39 17.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 64.22 110.865 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.2 mt -53.14 -28.9 15.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 75.44 111.113 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -41.49 74.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 71.44 110.889 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -66.67 -18.87 65.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 71.45 110.861 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 t -76.72 -40.79 47.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 73.35 110.874 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.11 -27.8 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 71.44 111.124 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -80.79 -18.97 45.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 64.34 110.891 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -67.05 -48.58 67.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 74.25 110.892 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -39.31 75.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 73.23 110.878 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 85.1 mt -53.42 -35.13 24.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 72.24 111.127 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.7 m -80.84 -53.14 6.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 74.04 110.903 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -54.31 -58.13 8.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 60.34 110.934 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.94 -22.78 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 73.01 111.167 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.32 -25.22 74.93 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.774 -0.727 . . . . 73.4 112.489 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.9 p -92.04 -22.77 19.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.746 0.308 . . . . 72.31 111.152 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -72.58 -37.73 68.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 73.45 110.824 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -18.31 65.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 63.32 110.839 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.7 t -59.93 -20.79 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 74.43 111.133 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.7 -55.12 3.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 73.32 110.869 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.5 -25.97 18.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 74.14 111.057 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.87 -40.55 89.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 52.34 112.501 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.4 -21.59 22.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.364 . . . . 73.21 110.902 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 mp -78.86 -35.56 43.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.882 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mp -76.3 -50.43 22.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 73.2 111.128 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -55.72 -56.31 21.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.891 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mp -51.39 -36.66 44.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.878 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 t -57.13 -39.1 74.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 54.44 110.825 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -85.14 -40.65 16.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 73.55 110.944 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -179.45 -34.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 64.44 110.905 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.22 -27.4 17.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 71.43 112.481 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.47 60.51 0.34 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.746 -0.74 . . . . 71.45 112.487 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.92 -115.18 3.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 63.15 112.507 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.57 95.49 0.15 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.722 . . . . 71.44 112.471 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.18 -140.83 26.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.679 -0.772 . . . . 71.14 112.52 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -97.98 179.13 32.46 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 72.52 112.497 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -10.89 29.66 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.669 2.246 . . . . 64.23 112.344 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.81 -21.97 46.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 64.45 110.925 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -32.99 74.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 74.13 110.897 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -66.71 -35.53 80.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 75.23 110.891 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -85.77 -25.96 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 73.32 111.088 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.2 t -82.9 -28.18 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 75.52 111.128 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -89.36 -24.75 21.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.872 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.1 p -88.5 -28.35 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 75.51 111.159 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 35.1 mm -91.3 -25.76 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 74.22 111.143 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -50.95 -60.31 5.83 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.662 0.744 . . . . 74.45 110.88 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.6 Cg_endo -69.7 -34.45 14.74 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 73.03 112.374 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.3 m -63.81 -30.3 71.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 61.44 110.874 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -56.97 -57.64 11.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 73.12 110.915 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -55.47 -25.96 39.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 64.33 110.907 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -84.76 -24.95 28.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.88 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.3 m -60.2 -44.03 95.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 72.53 110.848 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.18 -29.4 70.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 72.34 110.89 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.8 mt -64.12 -31.98 73.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 74.21 110.912 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.0 m -62.54 -20.74 64.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 70.12 111.145 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -97.27 -12.59 48.23 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.757 -0.735 . . . . 72.51 112.445 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.2 tp -89.63 -17.29 28.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 73.41 110.919 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -86.79 -32.1 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 72.11 111.136 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -90.08 -7.16 54.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 74.23 110.911 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -93.42 -68.45 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 71.54 110.935 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.11 74.39 21.34 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.639 0.733 . . . . 70.31 110.96 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 129.03 16.89 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.692 2.261 . . . . 63.32 112.319 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.5 m -71.91 -9.26 58.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 62.33 111.128 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -177.86 -169.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 74.02 110.845 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.48 -17.84 56.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 71.23 110.874 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.27 38.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 65.53 112.504 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -70.38 -35.06 73.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.922 0.391 . . . . 74.14 110.906 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -81.08 -33.81 33.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 72.24 110.893 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.6 mtm -77.22 -47.45 20.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 72.44 110.927 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.9 t -53.25 -29.66 33.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 73.52 111.149 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -81.62 -29.21 33.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 73.41 110.849 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.6 m -77.98 -26.6 48.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 51.12 110.885 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -63.07 -19.99 64.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 74.53 110.916 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.94 -17.92 48.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 65.01 110.86 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.5 t -74.13 -25.56 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 65.43 111.104 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.3 mt -68.62 -35.65 77.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 73.45 110.903 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.89 -35.26 51.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.879 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.2 m -81.32 -19.99 41.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 75.15 110.851 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.2 tp -72.88 -46.91 50.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 72.42 110.94 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.3 t -53.7 -27.51 28.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 72.45 111.104 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -35.87 60.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 61.32 110.918 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.56 -23.01 32.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.506 . . . . 73.32 110.925 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.0 tp -78.77 -38.48 38.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 74.2 110.943 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -65.53 -29.91 70.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.856 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.69 -12.37 61.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.918 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.65 -24.52 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 74.34 111.14 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.4 t -58.03 -20.28 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 63.25 111.154 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -88.24 -15.94 34.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 70.35 110.894 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.51 -67.35 0.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 74.05 110.901 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -144.61 74.22 15.19 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.599 0.714 . . . . 74.22 111.132 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 78.67 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.64 2.227 . . . . 73.34 112.352 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.93 -74.46 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 72.24 110.871 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.34 100.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 75.2 111.164 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.0 m -98.25 -33.86 10.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 73.02 110.823 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.33 -31.44 54.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 72.02 110.871 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.36 -17.0 53.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 75.23 111.099 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.52 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -51.75 -57.53 14.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.592 0.711 . . . . 73.21 111.113 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.4 Cg_endo -69.81 -14.56 36.1 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.681 2.254 . . . . 73.34 112.283 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.05 -42.44 16.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 63.53 110.886 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -56.44 -24.58 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 73.22 111.138 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -52.18 -27.86 24.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.757 . . . . 72.12 112.551 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -37.69 66.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 75.4 110.922 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -83.04 -26.01 31.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 75.55 110.958 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.54 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 74.42 110.865 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.96 -25.08 57.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 62.24 110.899 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.05 -30.33 59.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.887 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 91.6 m -77.33 -24.87 50.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 70.22 111.181 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -81.97 -49.47 10.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.898 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -58.44 -41.04 84.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 75.22 110.885 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -57.54 -31.77 66.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 73.25 110.859 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 46.9 t -56.34 -24.65 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 75.02 111.117 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -67.21 -19.98 65.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.869 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 43.3 m -63.87 -35.18 79.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.866 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.0 m -66.91 -55.36 14.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 74.22 110.881 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 28.6 pt -65.15 -24.31 35.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.494 . . . . 75.21 111.155 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -74.1 -54.15 8.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 72.42 110.901 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 17.2 mt -58.72 -48.66 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 72.13 111.109 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 31.9 p -61.0 -22.51 64.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 73.32 111.137 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.22 -18.35 47.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 73.12 110.919 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -84.72 -19.91 31.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 75.33 110.899 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.58 -25.67 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 72.21 111.16 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.78 -22.88 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 73.4 111.122 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.86 -24.66 33.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.868 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.07 -43.98 7.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 64.53 111.15 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -60.94 -30.58 70.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 74.33 110.89 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -76.09 -52.05 10.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 64.51 110.881 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -52.0 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 75.01 110.92 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 74.1 110.903 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ptp . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.808 0.337 . . . . 72.21 110.875 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.77 57.29 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.32 111.071 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -100.43 -179.44 4.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 73.44 110.842 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -79.3 -176.15 5.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 71.22 110.899 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 56.61 69.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 71.5 110.832 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -104.46 140.78 37.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 72.21 110.898 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 57.58 94.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 70.24 110.895 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -53.86 108.75 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 73.03 110.85 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.61 -50.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 74.34 111.077 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.1 mmm -78.11 -43.88 27.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.868 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -90.21 -19.15 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 74.13 111.14 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.3 -28.42 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 72.43 111.097 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -78.49 -20.05 51.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 71.32 110.872 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.24 -33.3 56.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 71.42 110.866 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.3 mm -65.4 -25.4 36.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 63.04 111.135 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 tt -54.71 -44.82 73.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 74.12 110.9 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -66.78 -18.73 65.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.911 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.79 -40.8 46.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 75.2 110.867 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.13 -27.8 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 65.44 111.098 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -80.79 -19.03 45.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.849 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -67.02 -53.38 31.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 70.45 110.875 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -35.15 79.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 70.31 110.923 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.5 mt -53.89 -33.49 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 73.33 111.145 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.03 -24.7 37.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 70.33 110.871 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.63 -48.17 14.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.889 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -23.35 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 74.12 111.113 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.94 -26.87 47.83 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 65.05 112.484 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.43 -21.72 20.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 74.44 111.182 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -84.15 -31.8 25.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 72.21 110.873 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 t -69.24 -18.16 63.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.849 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.7 t -69.46 -20.46 24.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 73.13 111.134 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -86.2 -59.2 2.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 74.13 110.886 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.3 -21.58 24.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 64.33 111.06 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -79.58 -37.95 22.13 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.764 -0.731 . . . . 72.54 112.522 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.7 -25.16 23.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.339 . . . . 71.35 110.864 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 mp -77.85 -40.17 41.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 75.45 110.901 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 21.5 mm -75.17 -54.0 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 62.1 111.145 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -50.89 -54.88 20.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 75.24 110.904 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.1 mp -49.94 -37.27 31.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 74.41 110.941 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -42.23 98.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 75.3 110.865 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -75.87 -41.54 51.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.936 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -177.7 -35.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 75.3 110.885 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.64 2.46 90.53 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 74.22 112.449 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.2 153.69 7.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 74.4 112.511 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.32 138.55 2.56 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 73.51 112.498 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.24 -87.79 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 71.12 112.441 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.83 -133.82 0.1 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 72.33 112.464 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -97.86 -178.55 33.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.799 -0.715 . . . . 73.51 112.481 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -10.86 29.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.703 2.269 . . . . 72.22 112.322 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.4 -21.94 41.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 74.12 110.923 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.94 -30.83 26.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 73.02 110.925 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -65.51 -46.22 80.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 65.3 110.877 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.75 -26.09 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 74.01 111.145 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.7 t -79.5 -31.18 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 73.32 111.14 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -89.11 -24.79 22.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 73.23 110.892 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.1 t -85.71 -44.97 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 73.41 111.115 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.5 mt -75.16 -22.8 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 72.22 111.156 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.48 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.8 mt-10 -51.48 -60.49 5.76 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.604 0.716 . . . . 75.01 110.857 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 54.0 Cg_endo -69.77 -32.63 18.17 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.683 2.255 . . . . 73.42 112.308 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 63.2 m -64.28 -30.04 71.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 75.42 110.902 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -58.56 7.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.873 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -25.8 40.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 73.45 110.886 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.18 -24.86 29.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 74.43 110.897 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.02 -38.6 62.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 74.34 110.838 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -56.78 -26.78 58.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 72.55 110.875 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.0 mt -67.13 -34.91 78.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 73.53 110.914 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.5 m -62.65 -19.24 63.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 73.03 111.175 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.44 -14.45 32.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.7 -0.762 . . . . 63.2 112.461 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.0 tp -91.06 -8.87 47.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.853 0.359 . . . . 75.32 110.913 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -95.08 -31.67 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 71.41 111.103 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -98.44 1.1 46.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 75.1 110.88 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -123.12 -58.19 1.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 73.21 110.91 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.9 tp -113.93 73.04 2.26 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.604 0.716 . . . . 73.14 110.896 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 129.12 17.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 71.23 112.376 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.7 m -103.06 -14.52 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 72.44 111.145 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -177.97 -171.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 74.51 110.877 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -16.78 60.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 73.23 110.839 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.02 39.18 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.754 -0.736 . . . . 71.51 112.497 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -66.65 -64.94 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.935 0.398 . . . . 75.44 110.852 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -64.58 -21.1 66.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 71.14 110.887 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 17.0 mtt -78.96 -60.34 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 73.12 110.87 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.2 t -56.77 -27.66 59.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 64.42 111.148 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -75.71 -20.67 58.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 74.24 110.903 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 p -83.76 -26.28 29.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 72.31 110.876 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -64.72 -44.62 89.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 74.1 110.899 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -17.92 59.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 63.14 110.875 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.6 t -77.73 -23.01 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 71.32 111.158 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.2 mt -85.21 -34.02 22.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 74.02 110.873 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.14 -34.31 49.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 73.32 110.912 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 70.1 m -82.52 -20.0 37.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 73.22 110.858 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.8 tp -74.78 -47.85 28.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 74.2 110.881 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.4 t -53.29 -27.65 24.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 63.32 111.12 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.21 -35.11 59.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 71.13 110.95 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.6 -23.0 32.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 74.35 110.905 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.5 tp -81.95 -26.16 34.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 74.52 110.945 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -67.35 -31.8 72.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 63.41 110.861 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -12.66 61.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 72.23 110.873 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.97 -24.58 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 75.22 111.121 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 26.9 t -57.56 -21.14 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 74.34 111.11 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -87.35 -18.82 29.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 71.51 110.866 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.47 -69.33 0.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.912 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.8 mp -138.39 74.07 41.79 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.732 . . . . 75.24 111.121 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 88.09 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.675 2.25 . . . . 62.34 112.337 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.6 p -52.85 -73.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 73.04 110.805 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 67.9 p -142.85 154.92 44.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 72.33 111.125 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.0 m -88.22 -13.33 41.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 73.34 110.886 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 70.7 m -75.94 -33.34 59.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 70.42 110.864 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.14 -17.95 48.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 64.13 111.098 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.517 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -52.52 -57.62 14.97 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.721 . . . . 71.43 111.104 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.2 Cg_endo -69.73 -13.51 34.86 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.661 2.241 . . . . 63.32 112.359 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.32 -43.33 16.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 74.53 110.921 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.25 -24.52 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 74.22 111.129 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -59.37 -20.86 52.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 72.2 112.488 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -83.57 -47.02 11.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 74.14 110.927 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -69.26 -42.15 75.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 75.22 110.909 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 15.1 mtm -58.8 -49.58 77.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 64.41 110.854 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.96 -25.8 67.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 63.54 110.894 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -52.04 -47.03 65.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 72.52 110.869 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 48.5 m -70.56 -26.63 63.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 71.54 111.178 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -74.01 -36.78 64.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 75.43 110.911 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.97 -32.61 65.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 74.13 110.861 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -66.23 -27.8 68.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 75.05 110.886 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 44.1 t -58.93 -26.61 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 75.24 111.108 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.36 -20.6 65.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 72.44 110.905 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.1 t -57.4 -24.29 54.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 64.55 110.926 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 67.7 m -60.41 -49.21 78.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 64.51 110.849 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 38.6 pt -78.73 -27.23 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 74.43 111.156 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -71.09 -40.88 71.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 72.12 110.921 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 26.8 mt -72.45 -51.4 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.55 111.106 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 72.8 p -60.13 -22.59 63.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 71.21 111.126 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -60.02 -18.61 47.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 75.22 110.9 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -29.04 27.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.881 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.54 -19.69 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 73.22 111.131 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.7 pp -62.51 -23.13 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 74.21 111.128 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -52.38 -31.28 33.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.921 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.67 -36.33 14.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 72.41 111.159 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.65 -15.21 62.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 72.04 110.873 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -92.08 -44.46 8.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 65.21 110.829 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.94 -74.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 75.14 110.86 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 72.34 110.846 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.604 ' HB3' HD13 ' A' ' 12' ' ' ILE . 30.2 m-70 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.775 0.321 . . . . 73.32 110.842 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.519 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -168.15 -47.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 45.33 111.088 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 21.1 mmt -80.13 -44.49 19.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 74.13 110.916 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.8 t -90.28 -18.95 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 63.2 111.124 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.604 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.43 -28.5 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 63.04 111.138 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -78.43 -18.03 55.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 73.12 110.846 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.98 -34.52 38.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 70.35 110.839 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.6 mt -55.94 -25.33 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 61.14 111.138 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.469 HD13 ' CD1' ' A' ' 71' ' ' PHE . 15.5 tp -56.18 -36.26 68.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 74.3 110.969 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -61.39 -18.79 60.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 71.41 110.872 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.0 t -76.96 -39.22 51.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 54.45 110.846 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.633 HG23 ' CD1' ' A' ' 129' ' ' ILE . 0.5 OUTLIER -88.19 -28.19 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 71.42 111.094 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.518 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.86 -19.02 45.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 72.23 110.893 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -69.21 -54.93 12.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 74.21 110.867 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -34.43 78.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 51.22 110.944 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' A' ' 20' ' ' PHE . 23.9 mt -52.92 -32.82 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 74.24 111.134 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.5 m -80.76 -28.64 36.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 74.02 110.866 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.409 ' O ' HG22 ' A' ' 28' ' ' THR . 3.8 tttm -76.08 -58.98 2.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.915 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.0 tt -59.36 -26.56 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 62.23 111.128 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.504 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -60.23 -38.88 95.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 32.34 112.466 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 25' ' ' LYS . 8.8 t -91.4 -23.65 19.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 74.04 111.152 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.02 -32.13 66.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 62.22 110.895 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 t -74.07 -34.25 63.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 63.33 110.866 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 27' ' ' GLY . 29.7 t -62.09 -20.46 24.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 75.54 111.17 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -86.14 -59.21 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 71.32 110.87 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.42 ' HB1' ' CE1' ' A' ' 115' ' ' TYR . . . -56.98 -21.84 33.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 73.13 111.108 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.25 -38.74 24.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 41.12 112.495 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.44 -23.91 23.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 73.12 110.873 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -76.75 -39.5 51.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 54.31 110.932 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mp -73.69 -40.64 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 75.2 111.095 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -65.09 -58.96 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 71.12 110.918 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 mp -50.72 -36.07 34.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 74.02 110.936 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.2 m -58.22 -38.16 76.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 73.03 110.869 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.543 ' CD ' ' HB2' ' A' ' 108' ' ' ALA . 1.8 mt-30 -83.23 -39.6 20.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 70.21 110.901 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -179.61 -34.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 33.2 110.883 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.87 9.74 75.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 44.01 112.473 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.17 151.49 7.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.807 -0.711 . . . . 60.44 112.505 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 156.99 147.17 4.69 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 74.53 112.473 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.781 ' HA3' HG21 ' A' ' 102' ' ' ILE . . . -76.97 -78.58 0.73 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.795 -0.717 . . . . 64.04 112.476 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.28 172.22 0.35 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 64.11 112.486 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -90.24 -178.82 44.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.693 -0.765 . . . . 63.52 112.504 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -10.69 29.19 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.67 2.247 . . . . 64.42 112.381 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.516 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -81.02 -22.05 39.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 75.21 110.879 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -75.86 -31.69 59.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 73.43 110.933 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.416 ' HE2' HG22 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -63.07 -35.62 80.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 72.45 110.874 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.714 HG22 ' CD1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -87.5 -26.16 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 74.12 111.118 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 50' ' ' LEU . 24.5 t -78.96 -30.24 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 74.24 111.128 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.23 -24.76 22.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 72.1 110.91 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 t -86.54 -44.39 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 63.1 111.114 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.714 ' CD1' HG22 ' A' ' 53' ' ' VAL . 69.6 mt -75.08 -23.26 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 73.2 111.099 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.493 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -51.79 -60.52 5.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.605 0.717 . . . . 74.31 110.907 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.569 ' CG ' HD22 ' A' ' 91' ' ' LEU . 53.8 Cg_endo -69.74 -32.76 18.04 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.727 2.285 . . . . 63.41 112.297 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 57.8 m -64.13 -29.98 71.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 74.24 110.892 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.82 -59.26 5.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 53.43 110.912 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -55.69 -25.7 41.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 74.43 110.862 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.497 ' HD1' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -83.66 -24.87 31.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 75.21 110.867 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.95 -35.14 63.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 71.24 110.899 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.31 -23.26 67.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 74.4 110.866 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.497 HD12 ' HD1' ' A' ' 63' ' ' PHE . 15.9 mt -66.42 -34.88 78.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 72.24 110.936 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.2 p -62.79 -16.86 59.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 65.35 111.132 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.63 -14.61 29.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 50.13 112.468 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.757 HD23 ' HD2' ' A' ' 80' ' ' LYS . 9.7 tp -91.07 -11.1 39.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.894 0.378 . . . . 70.12 110.935 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.722 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.08 -31.82 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 73.31 111.104 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.469 ' CD1' HD13 ' A' ' 16' ' ' LEU . 38.7 m-85 -96.52 0.98 50.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 74.41 110.911 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -124.23 -56.08 1.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 71.21 110.951 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.412 HD12 HD11 ' A' ' 69' ' ' LEU . 87.0 mt -114.03 72.67 2.26 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.575 0.702 . . . . 62.32 110.909 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 129.25 17.24 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.68 2.253 . . . . 64.31 112.321 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.8 m -111.4 -15.82 13.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 74.35 111.138 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -177.81 -172.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.14 110.875 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -62.96 -16.73 60.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.872 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.93 39.36 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 73.35 112.458 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.531 ' O ' HG22 ' A' ' 82' ' ' THR . 5.4 mm-40 -61.84 -53.48 55.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.89 0.376 . . . . 74.04 110.861 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.757 ' HD2' HD23 ' A' ' 69' ' ' LEU . 7.2 mmtp -80.97 -20.05 42.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 75.12 110.94 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.722 ' HG2' HG21 ' A' ' 70' ' ' VAL . 14.8 mtt -76.8 -40.19 48.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 75.51 110.872 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 79' ' ' GLU . 2.1 t -57.21 -25.92 59.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 62.25 111.133 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.733 ' O ' HG23 ' A' ' 87' ' ' VAL . 1.3 mt-10 -80.11 -20.03 45.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 64.52 110.896 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.8 m -73.48 -26.24 60.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 63.4 110.872 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -82.16 -20.97 36.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 74.54 110.921 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 43.3 t -87.02 -17.99 31.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 72.41 110.823 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 83' ' ' GLU . 77.9 t -80.69 -29.98 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 52.43 111.101 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.626 ' CD1' HG21 ' A' ' 123' ' ' VAL . 20.4 mt -86.03 -32.93 21.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 73.31 110.937 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.476 ' O ' HG22 ' A' ' 92' ' ' THR . 0.3 OUTLIER -78.36 -35.12 47.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.906 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.7 p -80.91 -20.07 42.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 65.21 110.845 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.569 HD22 ' CG ' ' A' ' 59' ' ' PRO . 2.1 tp -73.34 -47.73 40.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 65.52 110.934 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.476 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.3 t -53.63 -27.52 27.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 63.25 111.142 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -52.02 -39.13 59.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 75.23 110.904 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.6 -22.92 32.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 71.55 110.927 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.43 -23.01 43.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 73.14 110.909 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.466 ' O ' HG22 ' A' ' 99' ' ' VAL . 13.1 mmtt -72.75 -33.83 66.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 64.31 110.914 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -12.44 61.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 64.43 110.902 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.93 -24.44 4.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 72.31 111.15 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 96' ' ' LYS . 6.8 m -58.19 -20.14 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 73.04 111.11 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -88.34 -16.26 33.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 64.23 110.878 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.7 -65.98 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.876 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.781 HG21 ' HA3' ' A' ' 46' ' ' GLY . 1.0 OUTLIER -144.71 74.23 15.01 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.683 0.754 . . . . 73.52 111.152 179.866 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 144.55 54.32 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.663 2.242 . . . . 72.33 112.307 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.76 136.72 3.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 52.21 110.843 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.521 HG21 ' HB2' ' A' ' 41' ' ' GLN . 0.2 OUTLIER 59.52 98.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 75.53 111.135 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.9 t -81.01 -11.61 59.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.32 110.85 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.7 m -84.74 -31.62 23.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 63.33 110.841 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.543 ' HB2' ' CD ' ' A' ' 41' ' ' GLN . . . -80.18 -16.96 53.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 45.23 111.076 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.54 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -56.83 -57.53 23.5 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.719 . . . . 64.12 111.154 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.8 Cg_endo -69.77 -18.97 36.64 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.666 2.244 . . . . 65.42 112.319 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.66 -54.51 7.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 62.44 110.908 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 37.8 pt -57.03 -24.23 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 75.32 111.132 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -52.93 -32.18 41.05 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 73.04 112.486 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -78.36 -28.49 47.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 75.44 110.943 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.42 ' CE1' ' HB1' ' A' ' 33' ' ' ALA . 10.3 m-85 -80.92 -33.34 34.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 64.22 110.946 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 7.6 mtm -65.59 -55.25 18.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 73.4 110.837 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -27.26 69.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 75.15 110.878 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -52.03 -54.41 30.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 74.11 110.918 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.471 ' O ' HG23 ' A' ' 123' ' ' VAL . 2.1 m -61.91 -31.37 71.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 63.15 111.101 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.07 -35.04 69.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 73.02 110.88 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -69.83 -43.44 71.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 73.21 110.865 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -55.32 -30.85 61.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.931 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.626 HG21 ' CD1' ' A' ' 88' ' ' LEU . 39.6 t -56.44 -24.62 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.504 . . . . 72.53 111.131 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.416 ' O ' HD12 ' A' ' 127' ' ' ILE . 23.9 tt0 -60.87 -20.19 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 71.45 110.911 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 28.0 p -52.25 -30.0 25.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.854 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.5 t -54.28 -40.59 67.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 75.41 110.848 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.43 ' H ' HD12 ' A' ' 127' ' ' ILE . 1.9 mp -83.91 -40.56 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 65.22 111.089 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -31.76 62.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 74.33 110.867 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.633 ' CD1' HG23 ' A' ' 19' ' ' VAL . 6.9 mt -78.28 -50.54 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 74.44 111.143 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 58.6 p -59.75 -22.53 62.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 75.2 111.119 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.18 -18.42 47.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 70.23 110.857 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -84.66 -19.89 32.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 71.43 110.862 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.51 -25.58 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 72.04 111.099 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -78.17 -22.81 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 74.24 111.107 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.52 -22.91 32.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 54.52 110.913 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.17 -34.34 11.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 74.13 111.083 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -69.71 -45.73 67.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 71.04 110.879 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.55 -17.92 61.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 74.32 110.841 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.21 -33.83 14.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 74.15 110.867 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 11.4 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 71.33 110.9 -179.839 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.844 0.354 . . . . 65.55 110.899 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.51 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -172.51 -47.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 65.14 111.086 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -44.64 19.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 73.23 110.879 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.6 m -90.21 -19.02 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 61.53 111.137 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.51 HG22 ' CA ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -83.42 -28.52 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 71.22 111.119 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.88 -21.15 61.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 72.21 110.845 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -76.96 -47.78 19.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 74.21 110.855 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.1 mt -56.07 -24.99 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 74.34 111.145 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.777 HD12 ' HB2' ' A' ' 71' ' ' PHE . 4.5 tt -54.04 -45.12 71.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 61.24 110.914 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -18.81 65.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 74.52 110.902 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.71 -40.41 48.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 72.24 110.873 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.05 -27.76 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 73.21 111.135 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.612 ' HA ' HD12 ' A' ' 23' ' ' ILE . 2.5 t80 -80.9 -18.93 45.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 70.04 110.851 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.3 -51.91 39.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 55.33 110.861 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -32.7 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.862 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 20' ' ' PHE . 41.7 mt -55.22 -33.67 31.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 75.11 111.094 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -80.94 -60.93 2.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 71.12 110.936 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -51.95 -59.02 4.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 72.14 110.896 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.51 -24.46 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 75.12 111.111 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.615 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -53.41 -30.01 40.0 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.732 . . . . 70.44 112.478 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.4 p -92.04 -20.96 20.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 73.2 111.145 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -69.26 -34.11 74.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 71.3 110.858 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.9 m -80.18 -22.09 42.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 63.42 110.884 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 27' ' ' GLY . 58.3 t -72.86 -20.5 19.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 42.25 111.089 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -86.78 -54.87 4.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 53.52 110.892 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.647 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -56.21 -21.88 25.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 52.31 111.093 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.78 -40.39 26.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 63.41 112.483 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -88.45 -19.98 25.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.91 0.386 . . . . 71.05 110.865 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -80.81 -38.72 27.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 73.13 110.961 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mp -72.87 -44.7 57.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 70.52 111.145 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.64 -58.9 6.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 61.42 110.87 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.1 mp -51.17 -36.35 40.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 75.21 110.978 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 m -58.38 -38.18 76.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 64.52 110.877 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.434 ' OE1' ' HB2' ' A' ' 108' ' ' ALA . 1.8 mt-30 -84.1 -39.25 19.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 72.31 110.896 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -179.43 -34.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 63.53 110.897 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.68 4.27 89.29 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 74.32 112.481 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.88 121.42 19.23 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 70.22 112.512 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.71 172.82 40.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 54.11 112.508 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.782 ' HA3' HD13 ' A' ' 102' ' ' ILE . . . -78.47 145.14 28.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 61.52 112.477 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.16 -142.32 23.38 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.808 -0.71 . . . . 73.15 112.49 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.81 -178.77 22.9 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 62.12 112.488 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -10.77 29.37 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.259 . . . . 53.5 112.348 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.518 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -80.73 -22.2 40.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 74.2 110.926 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -67.48 -31.21 71.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 62.42 110.9 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -60.34 -53.03 62.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 73.12 110.914 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.8 m -67.12 -31.69 54.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 65.41 111.131 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.3 t -70.92 -42.78 77.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 72.3 111.13 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.11 -24.51 40.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 73.02 110.888 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.0 t -84.02 -45.98 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 65.44 111.09 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 84.5 mt -75.77 -21.95 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 71.34 111.125 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.498 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 3.0 mt-10 -50.6 -60.28 5.72 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.631 0.729 . . . . 72.35 110.918 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.566 ' CG ' HD22 ' A' ' 91' ' ' LEU . 53.6 Cg_endo -69.74 -31.21 21.04 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.722 2.281 . . . . 73.12 112.309 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 68.1 m -64.54 -32.07 73.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 55.22 110.899 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -56.08 -59.83 4.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 65.25 110.881 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -25.51 41.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 54.14 110.926 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.511 ' HD1' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -83.12 -24.83 32.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 72.22 110.875 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 61.5 m -53.72 -32.91 53.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 63.23 110.859 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -58.2 -24.04 57.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 65.42 110.892 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.511 HD12 ' HD1' ' A' ' 63' ' ' PHE . 21.8 mt -68.27 -33.75 74.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 64.21 110.877 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.7 p -69.16 -11.3 60.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.33 111.127 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -105.27 -16.58 15.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.802 -0.713 . . . . 75.13 112.467 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.07 -9.97 43.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.826 0.346 . . . . 73.54 110.911 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t -95.01 -44.13 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 74.55 111.119 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.777 ' HB2' HD12 ' A' ' 16' ' ' LEU . 74.5 m-85 -83.07 1.01 42.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 75.33 110.888 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -120.23 -67.62 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 72.14 110.925 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tt -124.55 74.31 62.22 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.63 0.729 . . . . 60.24 110.904 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 129.3 17.34 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.704 2.269 . . . . 43.43 112.337 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.6 m -93.01 -16.51 24.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 73.25 111.104 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -177.65 -172.91 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 75.21 110.828 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -16.84 61.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.855 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.49 39.08 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.763 -0.732 . . . . 74.54 112.541 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.549 ' O ' HG22 ' A' ' 82' ' ' THR . 2.0 mm-40 -60.65 -55.2 36.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.899 0.381 . . . . 50.34 110.914 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.485 ' O ' HD13 ' A' ' 66' ' ' LEU . 4.2 mmtt -81.0 -19.99 42.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 71.34 110.874 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.7 mtt -75.78 -39.0 57.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 53.4 110.848 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 79' ' ' GLU . 2.3 t -59.19 -20.98 58.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 71.25 111.15 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.617 ' O ' HG23 ' A' ' 87' ' ' VAL . 24.2 mt-10 -78.52 -22.45 47.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 64.35 110.852 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.1 t -73.99 -27.25 60.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 65.15 110.826 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -62.66 -31.64 72.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 63.53 110.914 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.99 -18.0 31.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 62.01 110.884 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 83' ' ' GLU . 90.0 t -76.67 -31.97 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 71.05 111.152 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 18.4 mt -86.01 -33.58 21.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 75.02 110.938 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.453 ' O ' HG22 ' A' ' 92' ' ' THR . 9.5 mmmt -76.06 -36.67 58.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 71.21 110.898 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.6 t -80.92 -20.01 43.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 75.14 110.862 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.566 HD22 ' CG ' ' A' ' 59' ' ' PRO . 2.2 tp -75.44 -48.41 22.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 74.5 110.934 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.453 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.6 t -53.69 -27.55 28.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 54.44 111.124 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -53.24 -35.06 59.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 75.02 110.868 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -83.56 -22.98 32.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 62.14 110.91 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.7 tp -83.08 -22.91 33.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 71.45 110.916 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.432 ' O ' HG23 ' A' ' 99' ' ' VAL . 3.2 mmtm -79.49 -35.3 40.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 72.13 110.905 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -12.24 61.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 74.43 110.907 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.67 -24.58 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 73.33 111.13 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 96' ' ' LYS . 24.0 t -57.81 -20.53 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 73.34 111.157 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -87.23 -16.76 34.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 71.21 110.897 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.803 ' HB3' HD12 ' A' ' 102' ' ' ILE . 0.8 OUTLIER -94.06 -68.53 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 52.23 110.92 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.803 HD12 ' HB3' ' A' ' 101' ' ' LEU . 4.2 mp -135.81 74.25 58.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.684 0.754 . . . . 72.35 111.165 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 164.18 35.46 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.718 2.279 . . . . 73.02 112.369 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.8 t -142.9 -74.52 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 34.2 110.81 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.02 151.85 51.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 53.02 111.175 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.0 t -93.9 -8.07 41.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 65.44 110.888 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.17 -31.29 49.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 63.31 110.861 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.434 ' HB2' ' OE1' ' A' ' 41' ' ' GLN . . . -79.81 -16.98 54.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 32.02 111.133 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.537 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -54.63 -57.6 18.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.612 0.72 . . . . 61.0 111.137 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.4 Cg_endo -69.82 -31.36 20.41 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.63 2.22 . . . . 54.03 112.327 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.07 -60.46 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 73.25 110.93 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 11.5 tt -55.55 -25.64 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 64.55 111.113 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.77 -22.06 65.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 62.33 112.465 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.97 -33.39 26.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 71.11 110.895 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.647 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -73.62 -27.86 61.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 74.21 110.9 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 47.3 mtm -62.49 -53.2 58.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 72.14 110.857 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.1 -25.35 45.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.941 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -52.05 -30.09 24.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 53.13 110.877 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 3.7 m -85.77 -30.15 23.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 73.44 111.185 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -47.54 78.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 71.52 110.869 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -71.76 -16.99 62.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 64.11 110.898 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -67.43 -26.34 66.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 71.55 110.914 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -85.16 -22.74 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 60.13 111.149 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.611 ' O ' HD12 ' A' ' 127' ' ' ILE . 5.3 tp10 -53.8 -27.82 31.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.22 110.898 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -20.03 58.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 61.54 110.869 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 50.7 m -61.4 -35.18 76.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 75.23 110.86 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 124' ' ' GLU . 1.8 mp -81.5 -51.27 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 73.35 111.127 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -30.08 23.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 71.22 110.927 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 23.0 mt -77.26 -43.1 31.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 72.41 111.138 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.539 ' O ' HG12 ' A' ' 133' ' ' VAL . 0.6 OUTLIER -71.41 -22.54 61.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 70.11 111.151 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.02 -18.67 47.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 61.55 110.889 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -83.67 -31.88 25.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 71.14 110.919 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 130' ' ' THR . 0.5 OUTLIER -60.54 -19.52 19.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 51.23 111.115 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.7 pp -58.97 -23.22 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 74.1 111.166 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.66 -32.78 67.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 75.52 110.933 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.75 -43.69 12.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 74.32 111.159 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.86 -29.91 69.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 74.53 110.855 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -76.58 -41.28 46.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 62.43 110.825 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -52.46 -73.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 72.03 110.855 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 63.21 110.87 -179.779 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.534 ' CB ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.82 0.343 . . . . 73.44 110.837 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.499 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -169.98 -47.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 63.22 111.127 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 25.4 mmt -80.09 -44.59 19.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 71.03 110.926 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.3 m -90.29 -18.92 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 73.23 111.099 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.654 ' CD1' HG21 ' A' ' 133' ' ' VAL . 0.3 OUTLIER -83.45 -28.44 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.21 111.127 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -37.55 83.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.855 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -68.9 -24.57 64.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 62.54 110.845 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.9 mt -70.59 -25.0 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 64.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.463 HD12 ' O ' ' A' ' 16' ' ' LEU . 10.5 tp -55.67 -36.98 67.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 53.21 110.923 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -65.05 -18.91 65.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 72.35 110.929 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.3 m -77.35 -39.62 46.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 64.23 110.86 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.071 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.04 -27.89 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 64.32 111.103 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.801 ' HA ' HD12 ' A' ' 23' ' ' ILE . 1.9 t80 -80.94 -19.0 45.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 73.54 110.866 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -69.83 -49.28 54.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 72.51 110.855 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -51.47 -45.2 62.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 71.4 110.887 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.801 HD12 ' HA ' ' A' ' 20' ' ' PHE . 14.4 mt -52.73 -37.52 25.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 74.15 111.153 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 66.4 m -81.05 -22.16 39.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 73.3 110.888 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' O ' HG22 ' A' ' 28' ' ' THR . 0.0 OUTLIER -80.13 -59.03 2.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 65.31 110.899 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.442 HG21 ' CE2' ' A' ' 122' ' ' PHE . 1.1 pt -56.35 -24.65 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 61.12 111.167 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.515 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -71.2 -16.04 74.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.715 -0.755 . . . . 55.33 112.486 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -84.31 -25.13 29.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 73.51 111.165 -179.864 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -83.59 -40.67 18.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 61.22 110.881 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -18.02 59.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 74.03 110.89 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 27' ' ' GLY . 58.3 t -59.64 -20.51 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 71.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.74 -56.54 3.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 75.2 110.886 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.601 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -56.04 -23.42 33.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 72.41 111.086 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.72 -40.81 44.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 34.03 112.456 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.492 ' O ' HD13 ' A' ' 39' ' ' LEU . 26.0 mmm-85 -88.77 -21.77 23.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 72.44 110.865 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 mp -78.81 -36.18 43.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 73.24 110.927 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.7 HG13 HD13 ' A' ' 111' ' ' LEU . 1.0 OUTLIER -73.16 -40.13 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 74.14 111.138 179.805 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.88 -45.8 63.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 75.54 110.894 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 35' ' ' ARG . 1.5 mp -51.85 -30.97 25.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 73.42 110.916 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.46 -35.26 54.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 61.1 110.852 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.634 ' NE2' ' HB2' ' A' ' 108' ' ' ALA . 47.8 mm-40 -51.02 103.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 73.13 110.895 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.92 14.17 3.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 72.2 110.873 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.7 -31.94 14.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 62.51 112.498 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -134.42 -105.75 0.88 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 61.12 112.52 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 144.93 116.8 1.08 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.676 -0.773 . . . . 73.04 112.479 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -136.02 -139.43 3.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.729 . . . . 72.03 112.522 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.64 -170.89 0.44 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.733 -0.746 . . . . 35.2 112.49 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.77 -164.98 27.06 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 64.31 112.468 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -9.99 27.5 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 72.02 112.386 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 mt -73.37 -26.1 60.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 75.44 110.948 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -32.74 70.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 74.1 110.92 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.81 -46.6 81.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 63.42 110.905 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 52.4 t -76.97 -28.13 16.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 73.23 111.114 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 t -77.3 -31.36 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 60.51 111.13 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -89.04 -24.86 22.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 75.11 110.909 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.1 t -85.72 -44.81 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 65.24 111.132 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.8 mm -75.4 -22.57 16.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 63.41 111.105 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.494 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.6 -60.51 5.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.667 0.746 . . . . 72.33 110.916 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.635 ' HB3' HD21 ' A' ' 91' ' ' LEU . 54.2 Cg_endo -69.77 -26.66 27.29 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.659 2.239 . . . . 43.24 112.341 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.53 -41.22 76.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 75.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.36 -57.92 8.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 72.43 110.928 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -55.78 -25.51 41.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 73.52 110.9 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.553 ' CD2' HD12 ' A' ' 66' ' ' LEU . 7.2 t80 -83.89 -24.88 30.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 75.21 110.928 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -41.2 76.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 74.24 110.865 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.61 -27.96 68.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.102 -0.499 . . . . 63.35 110.86 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.719 HD13 ' OG ' ' A' ' 84' ' ' SER . 39.0 mt -67.85 -38.69 83.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 73.53 110.947 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.5 p -62.99 -16.25 59.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 72.11 111.133 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.02 -13.5 36.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.765 -0.731 . . . . 54.32 112.512 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.775 HD23 ' HD2' ' A' ' 80' ' ' LYS . 8.8 tp -91.02 -11.91 37.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 62.42 110.931 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.721 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.8 t -95.07 -31.85 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 73.34 111.114 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -96.33 1.07 51.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 71.33 110.892 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -126.85 -47.92 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 71.22 110.872 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.6 tp -117.77 68.26 6.11 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.664 0.745 . . . . 72.23 110.899 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 129.33 17.44 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.653 2.235 . . . . 64.44 112.391 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.8 m -108.9 -14.47 14.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 73.14 111.152 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -178.07 -170.81 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 51.31 110.855 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 59.6 p -63.27 -16.5 60.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 65.0 110.832 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.35 38.59 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 74.32 112.466 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.33 -70.07 0.26 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.895 0.379 . . . . 74.05 110.895 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.775 ' HD2' HD23 ' A' ' 69' ' ' LEU . 9.9 mmtt -56.46 -28.56 59.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 75.14 110.938 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.721 ' HG2' HG21 ' A' ' 70' ' ' VAL . 13.0 mtt -72.09 -61.03 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 62.0 110.91 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 t -61.86 -26.88 68.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 71.34 111.128 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -78.08 -20.31 52.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 53.1 110.873 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.719 ' OG ' HD13 ' A' ' 66' ' ' LEU . 34.5 m -84.27 -27.62 27.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 73.53 110.856 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.514 ' HA ' HD12 ' A' ' 88' ' ' LEU . 2.2 tttt -65.1 -20.01 66.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 52.01 110.879 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.86 -17.93 49.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 73.14 110.851 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.8 t -79.2 -34.39 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 74.04 111.115 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.611 HD11 HG21 ' A' ' 123' ' ' VAL . 4.0 mt -69.42 -18.97 63.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 63.12 110.956 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -84.05 -38.2 21.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 73.03 110.871 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.21 -19.94 27.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 55.42 110.867 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.635 HD21 ' HB3' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -77.58 -43.73 30.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 74.34 110.891 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.9 t -54.15 -26.98 30.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 74.12 111.135 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -55.54 -26.05 41.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 74.41 110.894 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.76 -25.87 32.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 73.14 110.934 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.551 HD13 ' SD ' ' A' ' 116' ' ' MET . 0.2 OUTLIER -83.08 -27.71 30.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 74.3 110.896 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -65.72 -31.07 71.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 75.13 110.891 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -12.61 61.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 70.41 110.88 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.97 -24.23 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 73.42 111.136 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.503 HG22 ' HB3' ' A' ' 103' ' ' PRO . 0.5 OUTLIER -58.12 -20.29 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 72.34 111.079 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -86.9 -16.45 35.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 73.02 110.891 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.769 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -92.58 -66.92 0.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 64.41 110.94 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.769 HD12 ' HB3' ' A' ' 101' ' ' LEU . 4.0 mp -138.73 74.18 39.28 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.712 . . . . 64.13 111.088 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.503 ' HB3' HG22 ' A' ' 99' ' ' VAL . 53.2 Cg_endo -69.77 88.86 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.653 2.236 . . . . 72.55 112.298 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 63.9 p -58.78 -176.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 61.24 110.859 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.9 p -62.42 -171.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 72.31 111.168 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 52.0 m -88.59 7.17 34.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 71.4 110.877 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.624 ' O ' HD12 ' A' ' 111' ' ' LEU . 5.7 m -96.94 -40.68 8.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 71.53 110.862 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.634 ' HB2' ' NE2' ' A' ' 41' ' ' GLN . . . -79.86 -24.42 41.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 61.31 111.101 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.541 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -59.27 -57.53 26.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 71.42 111.117 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.2 Cg_endo -69.79 -19.34 36.13 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.663 2.242 . . . . 74.23 112.312 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.7 HD13 HG13 ' A' ' 37' ' ' ILE . 2.3 mt -78.04 -58.53 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 74.43 110.953 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 7.4 tt -58.73 -24.47 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 75.53 111.082 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.75 -28.88 70.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 42.31 112.427 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -71.13 -44.28 65.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.806 0.336 . . . . 63.41 110.946 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.601 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 24.7 m-85 -76.26 -18.99 58.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 74.25 110.924 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.551 ' SD ' HD13 ' A' ' 95' ' ' LEU . 2.5 mtp -69.76 -43.04 73.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 73.51 110.91 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.0 -25.05 37.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.909 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -52.05 -44.87 64.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 75.42 110.887 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.479 ' O ' HG23 ' A' ' 123' ' ' VAL . 4.6 m -68.84 -24.93 64.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 73.35 111.1 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -81.1 -36.67 30.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 73.43 110.891 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.15 -42.68 68.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 74.5 110.856 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.442 ' CE2' HG21 ' A' ' 26' ' ' ILE . 1.8 t80 -59.19 -21.72 59.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 74.31 110.89 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.611 HG21 HD11 ' A' ' 88' ' ' LEU . 79.5 t -55.85 -25.41 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.484 . . . . 73.25 111.171 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -66.96 -20.04 65.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 74.33 110.867 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.7 t -56.47 -25.09 49.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 74.21 110.874 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.476 ' HA ' HG21 ' A' ' 19' ' ' VAL . 32.4 m -57.06 -56.49 21.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 75.02 110.875 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 27.2 pt -69.4 -25.93 30.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 53.43 111.163 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -68.93 -58.04 4.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 71.24 110.953 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 1.071 HD12 HG23 ' A' ' 19' ' ' VAL . 57.1 mt -61.19 -49.16 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 71.53 111.158 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 126' ' ' SER . 73.9 p -58.05 -22.46 50.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 71.43 111.202 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -18.6 47.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 74.02 110.891 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -82.61 -20.95 35.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.862 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.654 HG21 ' CD1' ' A' ' 12' ' ' ILE . 1.5 p -57.43 -23.34 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 71.1 111.142 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.8 pp -59.75 -23.56 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 75.43 111.138 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -33.55 66.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 73.42 110.907 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.05 -35.08 29.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 75.43 111.141 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -71.97 -17.62 62.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 70.12 110.88 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -88.46 -42.31 12.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 71.42 110.821 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -52.58 -69.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 70.33 110.875 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.831 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.736 ' HB3' HD13 ' A' ' 12' ' ' ILE . 3.4 m80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.839 0.352 . . . . 74.02 110.863 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.504 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -172.39 -47.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 74.02 111.112 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.402 ' CE ' ' HB3' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -80.3 -44.58 19.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 75.13 110.845 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.4 m -90.29 -18.96 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 64.3 111.132 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.736 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.43 -28.56 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 70.1 111.139 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -52.23 -30.15 26.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 73.33 110.899 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -74.49 -35.6 63.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 61.5 110.857 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.8 mt -62.0 -25.2 36.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 74.15 111.093 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.441 HD12 ' HB2' ' A' ' 71' ' ' PHE . 2.7 tt -56.83 -31.91 65.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 75.03 110.922 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -66.74 -18.76 65.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 74.13 110.887 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.7 -40.81 47.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 62.43 110.902 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.625 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.14 -27.81 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 74.04 111.093 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.736 ' HA ' HD12 ' A' ' 23' ' ' ILE . 4.0 t80 -80.74 -19.04 45.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 72.2 110.919 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.04 -55.15 15.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 73.21 110.887 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -39.66 70.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 74.32 110.914 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 20' ' ' PHE . 83.5 mt -53.26 -34.55 22.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 64.1 111.114 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.9 m -80.59 -24.7 38.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 72.54 110.878 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -80.27 -58.22 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 71.04 110.924 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.7 tt -52.0 -29.69 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 73.14 111.123 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.63 -39.51 95.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 63.21 112.472 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.4 p -91.28 -26.33 19.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.729 0.3 . . . . 75.25 111.122 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -73.34 -33.94 65.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 74.42 110.86 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -71.04 -18.48 62.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 54.11 110.877 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.3 t -59.8 -20.52 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 51.15 111.117 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -86.75 -55.55 3.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 72.53 110.936 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.596 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -56.1 -22.65 29.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 60.14 111.105 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.49 -40.62 32.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 72.41 112.498 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -88.56 -20.21 25.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 73.32 110.852 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -80.21 -38.36 31.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 73.53 110.93 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mp -73.4 -48.04 43.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 70.23 111.135 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.89 -58.2 9.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 72.35 110.903 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.6 mp -51.32 -36.06 40.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 64.54 110.906 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.47 -38.07 68.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 71.21 110.88 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.663 ' HG3' ' HB2' ' A' ' 108' ' ' ALA . 22.9 mm-40 -84.74 -39.83 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 65.31 110.927 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -179.58 -34.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 72.42 110.903 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.39 -1.72 84.51 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 75.52 112.527 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.1 164.54 54.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 64.31 112.479 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 175.42 -176.42 47.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 70.24 112.486 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -103.21 -71.95 0.9 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 53.11 112.472 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.7 -165.3 0.36 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 72.21 112.495 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.84 -177.79 38.0 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 64.43 112.464 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -10.7 29.17 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.258 . . . . 73.43 112.372 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.517 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -81.23 -22.02 39.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 71.14 110.887 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.442 ' OH ' HD11 ' A' ' 98' ' ' ILE . 6.7 t80 -62.62 -27.27 69.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 73.52 110.929 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -62.89 -52.71 62.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 74.32 110.882 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.549 ' HA ' HG12 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -78.38 -26.7 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 45.35 111.145 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.1 t -71.19 -31.74 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 62.44 111.159 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -89.45 -24.27 21.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 64.13 110.93 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.549 HG12 ' HA ' ' A' ' 53' ' ' VAL . 0.5 OUTLIER -88.08 -27.62 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 61.14 111.179 179.867 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.0 mm -91.87 -25.72 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 74.21 111.13 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.498 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -50.88 -60.34 5.72 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.713 0.768 . . . . 73.34 110.898 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.615 ' HB3' HD21 ' A' ' 91' ' ' LEU . 53.9 Cg_endo -69.76 -34.39 14.66 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.691 2.26 . . . . 71.52 112.371 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.3 m -64.04 -32.68 74.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 64.41 110.9 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.04 -59.08 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 72.21 110.901 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -55.83 -25.31 41.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 72.45 110.889 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.601 ' CG ' HD12 ' A' ' 66' ' ' LEU . 4.5 t80 -83.84 -24.93 30.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.25 110.903 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.84 -40.69 73.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.507 . . . . 75.53 110.843 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -63.35 -27.12 69.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 73.21 110.91 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.638 HD13 ' OG ' ' A' ' 84' ' ' SER . 50.4 mt -66.31 -36.48 83.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 65.22 110.941 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.7 p -62.9 -16.31 58.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 61.12 111.175 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.44 -13.14 39.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 64.22 112.498 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.8 HD23 ' HD2' ' A' ' 80' ' ' LYS . 9.6 tp -91.01 -12.57 35.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 72.11 110.922 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.74 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.03 -31.84 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 55.45 111.139 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.441 ' HB2' HD12 ' A' ' 16' ' ' LEU . 58.1 m-85 -95.86 1.05 52.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 54.53 110.882 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -127.17 -47.63 1.47 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 73.15 110.922 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.2 tp -117.68 68.27 5.92 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.625 0.726 . . . . 75.53 110.916 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 129.34 17.43 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.689 2.259 . . . . 75.33 112.321 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.2 m -107.73 -17.05 14.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 75.41 111.144 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -177.99 -170.86 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 71.12 110.885 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -16.68 60.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 72.04 110.85 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.08 39.05 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 75.31 112.51 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.65 -69.75 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.966 0.413 . . . . 74.21 110.922 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.8 ' HD2' HD23 ' A' ' 69' ' ' LEU . 8.7 mmtt -55.49 -29.83 59.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 64.13 110.936 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.74 ' HG2' HG21 ' A' ' 70' ' ' VAL . 9.2 mtt -73.45 -60.98 1.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.897 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 t -59.76 -25.83 65.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 41.2 111.127 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -81.05 -22.44 39.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 70.21 110.931 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.638 ' OG ' HD13 ' A' ' 66' ' ' LEU . 35.8 m -84.36 -27.88 27.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 73.43 110.835 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.456 ' HA ' HD12 ' A' ' 88' ' ' LEU . 8.3 tttm -62.98 -19.94 64.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 73.32 110.904 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.52 -17.96 49.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.854 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.32 -33.75 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 62.31 111.105 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.654 HD13 ' HB3' ' A' ' 120' ' ' LYS . 5.6 mt -69.98 -32.17 70.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 53.42 110.89 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.27 -32.48 55.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.86 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 m -87.2 -20.01 27.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 44.52 110.821 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -80.28 -46.86 15.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 72.4 110.954 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.4 t -53.4 -27.86 26.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 73.4 111.175 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.3 -31.3 53.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 72.54 110.912 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -83.58 -23.79 31.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 61.53 110.871 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.3 tp -83.07 -27.4 30.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 63.3 110.905 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.474 ' O ' HG23 ' A' ' 99' ' ' VAL . 30.3 mttm -64.88 -30.53 71.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 75.12 110.941 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -12.7 61.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 61.42 110.846 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.442 HD11 ' OH ' ' A' ' 51' ' ' TYR . 0.8 OUTLIER -52.15 -24.68 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 70.43 111.126 179.884 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 96' ' ' LYS . 26.3 t -58.35 -20.51 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 62.35 111.145 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.52 -14.88 39.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 73.32 110.88 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.717 ' HB3' HD12 ' A' ' 102' ' ' ILE . 0.4 OUTLIER -98.36 -69.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 71.22 110.919 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.717 HD12 ' HB3' ' A' ' 101' ' ' LEU . 3.2 mp -133.01 73.74 74.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.654 0.74 . . . . 71.23 111.096 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 100.06 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.689 2.259 . . . . 70.41 112.385 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -74.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 74.5 110.873 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.5 p -144.41 -179.28 6.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 75.22 111.13 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.4 m -106.38 -3.2 21.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 64.02 110.868 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.2 m -105.09 -32.48 8.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 72.14 110.849 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.663 ' HB2' ' HG3' ' A' ' 41' ' ' GLN . . . -80.65 -17.24 51.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 45.21 111.091 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.546 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -51.93 -57.6 14.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.621 0.724 . . . . 74.12 111.114 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.75 -21.24 33.81 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.702 2.268 . . . . 74.41 112.325 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.3 tt -75.7 -58.94 2.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 65.41 110.928 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.8 tt -58.08 -26.72 29.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 72.22 111.1 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -54.22 -31.89 50.2 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 63.42 112.454 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -78.69 -39.2 37.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.795 0.331 . . . . 54.44 110.871 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.596 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 3.7 m-85 -67.81 -54.45 18.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 73.15 110.949 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -36.17 60.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 63.42 110.873 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.7 tt -79.51 -27.84 41.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 75.44 110.906 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -52.12 -43.96 64.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 73.25 110.852 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.4 m -71.58 -32.09 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 54.4 111.154 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.654 ' HB3' HD13 ' A' ' 88' ' ' LEU . 16.2 mttp -73.06 -28.89 62.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 65.12 110.93 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -85.97 -24.54 26.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 74.32 110.896 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -52.06 -31.66 31.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 73.04 110.888 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 120' ' ' LYS . 7.1 p -52.32 -29.54 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 64.41 111.092 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -56.54 -27.35 57.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 74.4 110.877 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.2 m -59.55 -21.78 60.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 51.51 110.903 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.7 t -67.85 -20.88 65.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 52.43 110.836 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 12.8 mt -79.76 -53.22 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 63.23 111.151 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -53.09 -37.09 61.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 73.35 110.907 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.625 HD12 HG23 ' A' ' 19' ' ' VAL . 29.9 mt -65.3 -36.59 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 62.31 111.11 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -22.58 59.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 72.3 111.106 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -60.18 -18.41 47.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 71.23 110.846 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -84.72 -19.91 31.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 70.33 110.841 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.59 -25.63 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 65.13 111.156 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.81 -22.86 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 75.31 111.161 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.0 -24.74 32.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 74.14 110.862 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.07 -44.02 7.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 74.41 111.166 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -61.35 -29.26 69.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 73.14 110.886 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -77.41 -51.81 10.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 55.34 110.85 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -52.07 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 71.04 110.839 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 63.12 110.875 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.836 0.351 . . . . 72.1 110.891 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.512 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -169.59 -47.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 52.52 111.078 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 22.4 mmt -80.14 -44.56 19.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 62.12 110.878 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.31 -18.93 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 72.41 111.126 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.59 ' CD1' HG21 ' A' ' 133' ' ' VAL . 0.3 OUTLIER -83.43 -28.43 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 74.42 111.135 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -73.99 -24.3 59.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 73.13 110.862 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -76.59 -56.21 4.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 73.31 110.914 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.7 mt -52.78 -28.76 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 60.22 111.167 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.48 -43.31 71.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 71.13 110.877 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -66.17 -18.92 65.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 72.34 110.887 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -76.76 -40.54 48.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 63.32 110.904 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.499 HG21 ' HA ' ' A' ' 126' ' ' SER . 0.4 OUTLIER -88.14 -27.73 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 75.04 111.109 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.484 ' HA ' HD12 ' A' ' 23' ' ' ILE . 3.2 t80 -80.84 -18.94 45.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 61.54 110.855 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.98 -52.5 35.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 74.25 110.857 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -32.5 73.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 74.02 110.879 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 20' ' ' PHE . 24.9 mt -54.5 -33.86 27.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 75.24 111.134 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.02 -21.36 40.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 61.13 110.881 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -85.04 -59.01 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 72.14 110.881 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.2 tp -52.08 -29.58 11.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 72.23 111.104 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.95 -36.77 93.47 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 45.43 112.491 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.02 -21.04 20.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.749 0.309 . . . . 74.43 111.13 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -69.43 -29.55 67.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 60.31 110.893 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.4 p -81.91 -17.95 45.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 72.01 110.861 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.5 t -65.13 -20.47 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 42.51 111.138 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -86.21 -59.27 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 71.33 110.886 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.26 -23.19 46.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 24.34 111.107 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.46 -39.83 41.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 62.51 112.532 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.429 ' O ' HD13 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.62 -26.39 21.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 72.1 110.85 -179.862 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 mp -72.27 -38.23 68.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 70.44 110.908 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.718 ' CG2' HD13 ' A' ' 111' ' ' LEU . 1.3 mp -78.47 -37.69 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 72.42 111.105 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -46.18 86.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 72.22 110.9 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.429 HD13 ' O ' ' A' ' 35' ' ' ARG . 2.4 mp -51.85 -47.51 64.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 73.12 110.938 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.35 -34.7 61.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 64.12 110.84 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.744 ' HG3' ' HB2' ' A' ' 108' ' ' ALA . 18.8 mm-40 -56.25 -36.92 69.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 64.12 110.928 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -179.52 -34.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 72.22 110.902 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.78 -9.21 78.37 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.754 -0.736 . . . . 45.14 112.486 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.6 167.56 13.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.741 -0.742 . . . . 63.32 112.497 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 158.3 162.87 12.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 74.34 112.508 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.77 -101.96 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.743 . . . . 73.32 112.496 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.63 175.05 0.35 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 44.11 112.456 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.15 -178.81 28.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.694 -0.765 . . . . 73.53 112.496 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -10.64 29.03 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.654 2.236 . . . . 64.02 112.361 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.53 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -81.36 -35.0 31.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 70.25 110.948 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -61.23 -36.25 79.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.915 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.432 ' HD2' HG23 ' A' ' 53' ' ' VAL . 5.1 t80 -63.99 -51.96 61.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 72.1 110.888 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.432 HG23 ' HD2' ' A' ' 52' ' ' PHE . 63.5 t -69.1 -32.21 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 74.44 111.126 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.5 t -72.6 -37.28 55.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 74.24 111.143 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -84.28 -24.71 29.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 60.21 110.892 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.6 t -85.2 -45.29 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 64.43 111.13 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 35.5 mm -75.12 -22.53 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 72.21 111.141 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.481 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.5 mt-10 -51.24 -60.56 5.48 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.638 0.733 . . . . 71.22 110.848 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.607 ' HG2' HD22 ' A' ' 91' ' ' LEU . 53.5 Cg_endo -69.81 -32.65 17.96 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.654 2.236 . . . . 64.11 112.384 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 66.0 m -64.2 -31.41 72.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 72.41 110.849 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -53.01 -53.44 50.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 72.53 110.894 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -55.77 -25.56 41.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 62.4 110.93 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.569 ' HD1' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -83.9 -24.97 30.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 70.34 110.878 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.83 -38.96 65.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 51.43 110.894 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.45 -25.83 68.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 63.45 110.846 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.569 HD12 ' HD1' ' A' ' 63' ' ' PHE . 52.1 mt -66.53 -32.45 73.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 72.43 110.863 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.7 m -62.59 -20.6 64.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 74.21 111.152 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.29 -13.77 37.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 51.24 112.501 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.73 HD23 ' HD2' ' A' ' 80' ' ' LYS . 11.6 tp -91.01 -11.07 39.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 53.3 110.941 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.721 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.8 t -95.01 -31.99 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 50.21 111.129 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -95.86 1.06 52.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 72.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -119.58 -61.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 64.22 110.943 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.4 tp -139.88 74.42 32.01 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.583 0.706 . . . . 73.02 110.89 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 129.3 17.34 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.638 2.225 . . . . 71.12 112.37 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.4 m -65.7 -14.33 61.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 72.43 111.13 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -177.9 -171.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 64.21 110.83 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.458 ' O ' ' HE1' ' A' ' 81' ' ' MET . 1.7 p -62.85 -16.84 60.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 75.05 110.881 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.8 29.75 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 44.1 112.452 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -71.22 -43.74 66.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.383 . . . . 73.31 110.857 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.73 ' HD2' HD23 ' A' ' 69' ' ' LEU . 11.9 mmtt -81.03 -22.1 39.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 75.53 110.877 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.721 ' HG2' HG21 ' A' ' 70' ' ' VAL . 8.1 mtt -84.41 -44.77 13.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 75.3 110.87 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.0 t -57.62 -22.97 48.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 44.32 111.176 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.664 ' O ' HG23 ' A' ' 87' ' ' VAL . 79.9 mt-10 -81.18 -19.98 42.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 73.42 110.877 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.9 m -74.98 -26.77 59.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 52.2 110.857 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.4 ttmt -74.59 -22.11 59.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 71.51 110.875 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.6 t -87.03 -17.93 31.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 54.44 110.865 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 83' ' ' GLU . 15.9 t -82.07 -34.36 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 63.22 111.105 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 47.0 mt -86.1 -33.54 20.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 63.32 110.922 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.432 ' O ' HG22 ' A' ' 92' ' ' THR . 0.5 OUTLIER -74.56 -37.65 62.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 72.4 110.9 179.792 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 24.1 t -80.93 -19.95 43.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 74.13 110.829 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.607 HD22 ' HG2' ' A' ' 59' ' ' PRO . 2.2 tp -76.99 -48.66 17.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 63.01 110.917 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.8 t -53.77 -27.49 29.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 72.33 111.161 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.74 -35.94 56.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 70.4 110.936 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.4 mmpm? -83.6 -22.96 32.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 75.12 110.921 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 11.3 tp -82.24 -22.83 35.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 60.43 110.931 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -79.82 -36.22 37.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 74.14 110.877 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -12.48 61.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 62.32 110.876 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.89 -24.62 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 71.2 111.132 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.413 HG22 ' HB3' ' A' ' 103' ' ' PRO . 0.8 OUTLIER -57.65 -20.72 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 63.35 111.098 179.86 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -87.27 -18.85 29.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 71.31 110.856 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.809 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -88.35 -68.36 0.77 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.916 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.809 HD12 ' HB3' ' A' ' 101' ' ' LEU . 4.3 mp -139.48 74.2 34.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.73 . . . . 60.33 111.124 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.413 ' HB3' HG22 ' A' ' 99' ' ' VAL . 54.2 Cg_endo -69.73 82.65 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.272 . . . . 73.12 112.395 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 59.0 m -52.06 -68.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 60.2 110.834 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.488 HG21 ' HB3' ' A' ' 41' ' ' GLN . 4.1 p -142.56 131.37 22.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 61.2 111.148 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.9 t -79.58 -5.82 55.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 62.44 110.832 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.48 -31.71 53.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 75.31 110.83 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.744 ' HB2' ' HG3' ' A' ' 41' ' ' GLN . . . -80.84 -17.0 52.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 72.41 111.128 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.545 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -52.22 -57.57 14.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.633 0.73 . . . . 72.33 111.07 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.7 Cg_endo -69.73 -23.32 31.08 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.724 2.283 . . . . 65.04 112.341 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.718 HD13 ' CG2' ' A' ' 37' ' ' ILE . 0.7 OUTLIER -73.59 -58.08 3.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 64.12 110.918 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -56.4 -24.95 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 74.52 111.149 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -52.92 -31.91 40.44 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 44.53 112.511 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -83.75 -33.01 25.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.766 0.317 . . . . 71.32 110.9 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -73.78 -29.57 62.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 73.52 110.916 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.05 -54.07 25.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 71.25 110.898 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -25.96 59.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 61.21 110.94 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -53.33 -39.21 63.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 62.44 110.843 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 20.3 m -71.63 -44.91 63.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 43.32 111.139 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -66.02 -24.81 66.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 63.24 110.887 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -75.85 -31.1 59.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.928 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -51.21 26.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 72.22 110.902 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 6.9 p -58.11 -23.02 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 64.54 111.159 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.503 ' HG2' HD11 ' A' ' 127' ' ' ILE . 0.0 OUTLIER -65.65 -20.03 66.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.911 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.3 -47.62 19.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 70.44 110.862 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.499 ' HA ' HG21 ' A' ' 19' ' ' VAL . 43.1 p -57.77 -35.96 71.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 62.41 110.901 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.503 HD11 ' HG2' ' A' ' 124' ' ' GLU . 37.8 pt -79.02 -24.23 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 55.24 111.136 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -82.53 -29.11 30.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.92 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 63.4 mt -65.25 -35.21 74.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 73.3 111.154 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.83 -22.51 66.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 62.12 111.147 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.16 -18.42 47.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 74.13 110.899 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -85.51 -19.69 30.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.86 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.59 HG21 ' CD1' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.75 -26.77 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 74.55 111.126 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -30.83 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 74.02 111.121 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -21.52 59.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 71.34 110.877 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -44.03 33.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 73.21 111.119 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -76.09 -8.97 58.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 62.33 110.885 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -104.86 -24.79 12.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 71.15 110.841 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.868 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.86 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.714 ' HB3' HD13 ' A' ' 12' ' ' ILE . 5.6 m-70 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.794 0.331 . . . . 75.05 110.851 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.507 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -172.36 -47.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 63.01 111.092 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.26 -44.58 19.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 61.31 110.849 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 t -90.29 -19.04 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 55.04 111.108 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.739 HD12 HG21 ' A' ' 133' ' ' VAL . 0.4 OUTLIER -83.38 -28.53 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 73.25 111.085 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -73.23 -19.62 61.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 71.31 110.847 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -83.98 -19.99 33.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.913 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.8 mm -75.82 -25.05 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 62.11 111.143 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.7 tp -53.85 -45.18 70.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 64.55 110.922 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -65.83 -18.92 65.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 75.41 110.87 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.5 t -76.83 -40.33 48.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 52.42 110.889 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.854 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.09 -27.81 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.15 111.097 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.753 ' HA ' HD12 ' A' ' 23' ' ' ILE . 2.8 t80 -80.83 -19.01 45.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 72.21 110.889 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -68.29 -56.43 8.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 74.13 110.865 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -51.52 -41.26 60.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 63.2 110.878 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.753 HD12 ' HA ' ' A' ' 20' ' ' PHE . 66.4 mt -54.23 -34.81 28.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 72.11 111.136 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.03 -21.06 40.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 64.45 110.837 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.36 -59.01 2.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 62.31 110.903 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 tp -52.1 -29.53 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 72.23 111.173 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.75 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -61.55 -48.3 85.5 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 63.12 112.496 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.05 -29.52 21.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.798 0.332 . . . . 65.11 111.165 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -71.22 -37.64 72.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 73.32 110.919 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -82.03 -28.56 32.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 74.04 110.822 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 27' ' ' GLY . 60.5 t -59.57 -20.7 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 50.31 111.116 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -87.64 -52.84 5.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 73.24 110.876 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.48 -24.07 29.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 64.4 111.082 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.24 -41.79 68.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.779 -0.724 . . . . 63.34 112.507 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.581 ' O ' HD22 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -89.68 -20.35 23.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.37 . . . . 73.12 110.846 -179.811 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mp -78.88 -35.79 43.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 62.25 110.923 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.797 HG13 HD13 ' A' ' 111' ' ' LEU . 1.2 mp -76.89 -52.23 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 62.34 111.168 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -54.56 -51.97 63.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 63.41 110.872 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.581 HD22 ' O ' ' A' ' 35' ' ' ARG . 2.4 mp -51.02 -35.67 35.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 51.34 110.921 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 m -82.02 -28.93 32.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 63.05 110.909 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.626 ' CD ' ' HB2' ' A' ' 108' ' ' ALA . 3.5 mm-40 -63.51 94.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 74.2 110.895 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -141.47 12.75 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 72.55 110.889 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.04 -27.96 47.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 73.14 112.485 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -131.73 -36.47 0.32 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 54.42 112.462 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.72 147.23 10.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 51.15 112.443 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -173.5 178.06 45.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.683 -0.77 . . . . 73.45 112.429 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.24 -171.99 0.45 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 75.12 112.478 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -92.02 179.97 41.29 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.685 -0.769 . . . . 63.32 112.445 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -10.93 29.71 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.667 2.245 . . . . 60.22 112.349 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.531 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -79.34 -28.18 42.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 62.41 110.883 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -30.47 68.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 74.41 110.911 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -65.09 -47.83 75.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 74.24 110.871 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -26.44 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 74.51 111.109 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 t -78.54 -31.74 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 75.14 111.138 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -89.18 -24.66 22.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 75.11 110.905 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.0 t -85.61 -45.33 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 71.13 111.14 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 36.4 mm -75.11 -22.39 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 74.41 111.144 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.485 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.6 mt-10 -51.68 -60.56 5.7 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.633 0.73 . . . . 71.4 110.914 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.8 Cg_endo -69.76 -26.59 27.43 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.688 2.259 . . . . 73.0 112.357 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -32.79 74.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 62.43 110.884 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.81 -58.46 7.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 64.14 110.9 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -55.73 -25.57 41.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 73.3 110.905 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.541 ' CE2' HD21 ' A' ' 88' ' ' LEU . 2.6 t80 -84.09 -24.85 30.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 70.13 110.889 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -41.58 80.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 55.22 110.835 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -64.83 -27.45 68.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 63.54 110.889 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.753 HD13 ' OG ' ' A' ' 84' ' ' SER . 45.6 mt -67.22 -37.95 84.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 65.44 110.876 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.7 p -62.84 -16.39 58.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 72.35 111.143 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.85 -13.38 37.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 73.33 112.487 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.784 HD23 ' HD2' ' A' ' 80' ' ' LYS . 9.4 tp -91.01 -10.6 41.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.906 0.384 . . . . 71.23 110.958 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.737 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.08 -31.71 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 63.34 111.103 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -97.11 1.09 49.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 71.51 110.847 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -124.03 -56.61 1.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 53.41 110.922 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 68.3 mt -113.95 72.71 2.2 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.593 0.711 . . . . 64.4 110.954 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 129.05 16.97 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.753 2.302 . . . . 72.23 112.357 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 47.5 m -102.68 -17.15 15.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 51.41 111.149 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -178.01 -170.8 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 65.42 110.861 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -16.69 60.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 71.35 110.85 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.94 39.14 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 71.42 112.428 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.04 -69.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.921 0.391 . . . . 73.51 110.914 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.784 ' HD2' HD23 ' A' ' 69' ' ' LEU . 9.0 mmtt -54.72 -27.92 44.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 72.13 110.915 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.737 ' HG2' HG21 ' A' ' 70' ' ' VAL . 10.2 mtt -76.47 -61.05 2.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 75.24 110.877 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -58.89 -25.99 63.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 42.32 111.15 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -76.68 -28.05 55.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 71.4 110.941 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.753 ' OG ' HD13 ' A' ' 66' ' ' LEU . 51.3 m -84.99 -26.07 27.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 75.11 110.848 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -64.49 -32.2 73.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 55.3 110.967 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -17.97 65.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.871 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.0 t -87.02 -23.02 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 75.21 111.076 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.567 HD11 HG21 ' A' ' 123' ' ' VAL . 35.9 mt -68.7 -36.21 78.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.884 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.507 ' O ' HG22 ' A' ' 92' ' ' THR . 0.1 OUTLIER -79.42 -34.22 41.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 65.33 110.915 179.83 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -81.19 -19.92 42.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 75.51 110.855 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.517 HD12 ' O ' ' A' ' 91' ' ' LEU . 2.1 tp -70.84 -45.95 63.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 65.14 110.908 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.507 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.8 t -53.79 -27.24 27.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 74.42 111.132 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.86 -32.04 60.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 72.1 110.864 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -22.98 32.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 63.45 110.927 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.46 -36.61 26.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.912 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.45 ' O ' HG23 ' A' ' 99' ' ' VAL . 19.7 mttm -65.35 -29.92 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 74.03 110.934 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -12.64 61.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 62.14 110.925 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.89 -24.79 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 74.32 111.107 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 96' ' ' LYS . 25.9 t -57.6 -20.98 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 71.12 111.175 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -87.45 -18.59 29.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 64.05 110.877 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.727 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.2 mp -89.14 -69.6 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 72.14 110.93 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.727 HD12 ' HB3' ' A' ' 101' ' ' LEU . 3.2 mp -137.71 73.9 46.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.584 0.707 . . . . 64.2 111.171 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 78.52 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.731 2.288 . . . . 71.11 112.331 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.499 ' O ' HG23 ' A' ' 105' ' ' THR . 71.0 m -53.88 -74.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 45.24 110.851 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 104' ' ' SER . 1.0 OUTLIER -159.34 175.94 12.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 72.44 111.163 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 t -91.79 7.33 42.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 63.55 110.867 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.6 t -79.72 -42.1 25.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 72.5 110.845 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.742 ' HA ' HD12 ' A' ' 111' ' ' LEU . . . -80.06 -17.03 53.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 73.13 111.125 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.527 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -52.61 -57.55 15.36 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.581 0.705 . . . . 63.11 111.106 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.7 Cg_endo -69.76 -34.48 14.5 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.695 2.263 . . . . 72.0 112.363 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.797 HD13 HG13 ' A' ' 37' ' ' ILE . 28.5 mt -63.34 -55.34 25.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 71.41 110.887 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.407 HG22 ' O ' ' A' ' 108' ' ' ALA . 14.9 tt -68.5 -24.7 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 63.13 111.112 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -69.58 -33.7 72.28 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.759 . . . . 33.25 112.531 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -65.35 -33.34 75.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 53.45 110.904 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -85.09 -18.96 32.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 71.44 110.876 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.17 -52.74 37.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 74.54 110.887 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -24.97 55.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 75.11 110.93 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.05 -31.4 29.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 61.0 110.893 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.57 ' O ' HG23 ' A' ' 123' ' ' VAL . 24.9 p -86.39 -28.17 23.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 52.15 111.137 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -69.09 -37.67 78.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.91 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -74.82 -31.68 61.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 75.34 110.874 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.26 -24.77 64.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 74.51 110.883 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 119' ' ' THR . 64.6 t -56.31 -28.39 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 73.41 111.141 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.52 ' HG3' HD11 ' A' ' 127' ' ' ILE . 0.3 OUTLIER -64.36 -20.23 65.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.937 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 67.9 m -57.59 -23.83 52.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 74.43 110.813 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 130' ' ' THR . 1.4 m -64.08 -53.05 55.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 72.45 110.858 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.52 HD11 ' HG3' ' A' ' 124' ' ' GLU . 27.8 pt -72.1 -25.75 24.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 74.32 111.09 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -70.68 -55.26 9.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 70.03 110.908 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.854 HD12 HG23 ' A' ' 19' ' ' VAL . 20.8 mt -62.4 -47.43 93.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 71.41 111.155 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.479 ' O ' HG12 ' A' ' 133' ' ' VAL . 66.8 p -61.6 -22.57 65.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 75.14 111.113 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.04 -18.61 47.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 72.45 110.909 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -83.94 -24.16 30.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 73.42 110.916 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.739 HG21 HD12 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -60.0 -20.26 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 73.42 111.083 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 2.2 pp -53.84 -28.01 16.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 54.43 111.164 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -52.09 -34.38 43.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 75.02 110.881 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.7 -42.18 8.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 63.42 111.109 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -60.38 -20.24 58.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 74.32 110.851 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -83.64 -53.08 5.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 63.53 110.881 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -52.46 -66.92 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 75.53 110.835 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 74.11 110.822 -179.764 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.705 ' HB3' HD13 ' A' ' 12' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.77 0.319 . . . . 72.41 110.869 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.517 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -169.07 -47.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 71.04 111.062 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.4 mmt -80.14 -44.49 19.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 65.13 110.864 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.0 t -90.3 -18.96 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 73.12 111.138 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.705 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.3 OUTLIER -83.45 -28.44 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 62.23 111.156 179.882 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -81.16 -21.78 39.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 72.15 110.847 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.04 -49.32 10.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 55.43 110.884 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.7 mt -56.11 -24.99 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 72.44 111.116 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 tt -52.6 -49.48 64.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 74.52 110.916 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt -66.14 -18.83 65.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 74.24 110.887 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -40.3 47.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 63.52 110.913 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.57 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.09 -27.79 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 73.31 111.175 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.789 ' HA ' HD12 ' A' ' 23' ' ' ILE . 3.0 t80 -80.82 -19.0 45.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.923 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -68.19 -53.78 22.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 75.41 110.894 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -38.18 84.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 71.53 110.905 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.789 HD12 ' HA ' ' A' ' 20' ' ' PHE . 58.4 mt -52.15 -35.08 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 75.23 111.124 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -81.02 -26.98 36.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 74.2 110.915 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -76.99 -57.76 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 73.41 110.937 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.702 HG13 HG22 ' A' ' 119' ' ' THR . 10.2 tp -51.75 -29.96 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 73.52 111.135 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.2 -35.35 88.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 63.22 112.493 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.99 -20.94 20.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.32 . . . . 73.34 111.193 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.99 -41.04 68.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 71.41 110.867 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.2 m -66.95 -18.02 65.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 62.4 110.868 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.0 t -70.32 -20.56 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 43.23 111.123 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -86.16 -59.31 2.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 63.22 110.855 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.457 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -56.17 -21.76 24.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 63.02 111.112 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.6 -37.8 26.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.797 -0.716 . . . . 70.24 112.471 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.54 -25.1 22.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.813 0.339 . . . . 63.35 110.889 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 mp -76.03 -40.11 54.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 54.1 110.877 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.455 HG12 HD22 ' A' ' 111' ' ' LEU . 1.3 mp -72.03 -48.66 48.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 70.43 111.119 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -53.84 -60.49 3.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 74.2 110.878 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.483 HD12 ' CA ' ' A' ' 43' ' ' GLY . 5.9 mp -50.78 -36.11 35.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 75.14 110.927 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -55.7 -35.8 66.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 53.13 110.832 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -90.58 -39.07 12.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 64.13 110.919 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -177.77 -35.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 63.22 110.873 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.483 ' CA ' HD12 ' A' ' 39' ' ' LEU . . . 94.61 -26.96 15.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 61.14 112.488 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.05 -105.36 1.81 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 63.41 112.504 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.508 ' O ' HG21 ' A' ' 102' ' ' ILE . . . 151.64 -150.23 22.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 71.32 112.511 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.85 -137.03 24.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 53.32 112.474 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.17 167.91 0.8 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.721 -0.752 . . . . 74.4 112.482 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -96.13 -178.78 35.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.742 . . . . 72.24 112.49 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -10.73 29.29 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.666 2.244 . . . . 72.24 112.332 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.529 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -81.11 -33.89 32.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 72.3 110.899 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -65.75 -41.25 92.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 72.44 110.916 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.84 -30.52 71.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 74.5 110.894 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.548 ' HA ' HG12 ' A' ' 56' ' ' VAL . 48.5 t -88.71 -27.97 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 73.11 111.131 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 50' ' ' LEU . 44.1 t -80.88 -28.43 11.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 72.34 111.155 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.8 -24.68 22.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 72.01 110.875 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 53' ' ' VAL . 4.8 p -88.87 -28.12 5.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 72.14 111.154 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.5 mm -91.26 -25.91 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 74.14 111.119 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.494 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.7 mt-10 -51.3 -60.19 6.26 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.613 0.72 . . . . 75.32 110.902 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.9 Cg_endo -69.71 -33.96 15.71 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.698 2.265 . . . . 65.03 112.356 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.1 m -63.49 -32.23 73.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 75.1 110.927 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -51.99 -52.53 49.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.887 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.02 -25.22 43.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 70.51 110.908 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.31 -24.93 34.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 74.12 110.886 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.27 -39.02 78.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 64.32 110.862 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -57.12 -27.26 61.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.922 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.584 HD12 ' CB ' ' A' ' 84' ' ' SER . 5.5 mt -67.53 -32.91 74.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 74.1 110.926 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.0 m -62.41 -21.96 65.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 73.33 111.16 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.06 -11.24 55.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.693 -0.765 . . . . 74.55 112.493 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.803 HD23 ' HD2' ' A' ' 80' ' ' LYS . 13.5 tp -90.98 -12.47 35.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 72.44 110.941 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.715 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.5 t -94.85 -32.05 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 75.23 111.136 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -86.27 1.14 52.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 55.01 110.892 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.735 ' O ' HD22 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -118.97 -71.24 0.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 70.44 110.911 -179.827 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.735 HD22 ' O ' ' A' ' 72' ' ' TYR . 3.6 mm? -135.3 75.46 58.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 63.43 110.932 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 134.34 27.73 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.675 2.25 . . . . 71.22 112.351 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.0 m -61.7 -17.4 55.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 64.04 111.123 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -177.6 -172.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 61.42 110.845 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.483 ' O ' ' HE1' ' A' ' 81' ' ' MET . 14.8 t -62.09 -17.55 57.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 50.11 110.857 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -172.36 39.1 0.16 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.749 . . . . 53.32 112.507 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -86.15 -41.17 14.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 70.5 110.846 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.803 ' HD2' HD23 ' A' ' 69' ' ' LEU . 1.4 mmtt -81.07 -28.75 35.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 71.13 110.91 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.715 ' HG2' HG21 ' A' ' 70' ' ' VAL . 7.5 mtt -76.89 -48.45 18.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 71.24 110.891 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.6 t -54.64 -30.88 56.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 52.3 111.134 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 87' ' ' VAL . 3.1 mm-40 -86.64 -19.98 28.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 71.35 110.874 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.584 ' CB ' HD12 ' A' ' 66' ' ' LEU . 7.2 p -83.9 -26.3 29.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 63.34 110.913 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.09 -34.22 24.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 74.11 110.906 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.9 t -62.16 -18.03 59.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 75.15 110.864 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 83' ' ' GLU . 4.5 t -84.13 -22.98 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 73.42 111.153 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.505 ' CD1' HG21 ' A' ' 123' ' ' VAL . 56.4 mt -81.37 -35.66 30.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 64.12 110.906 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.5 ' O ' HG22 ' A' ' 92' ' ' THR . 2.2 mmmm -79.62 -34.09 40.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 74.43 110.941 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.1 p -81.07 -19.93 42.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 55.24 110.848 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 91' ' ' LEU . 2.0 tp -70.8 -45.93 63.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 73.01 110.908 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.8 t -53.75 -27.26 27.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 74.21 111.129 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.14 -31.13 61.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 65.33 110.859 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.58 -23.33 32.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 52.11 110.871 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -83.02 -22.98 33.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 71.21 110.96 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -67.34 -32.52 73.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 73.1 110.897 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -12.61 61.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 72.42 110.926 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -52.01 -24.55 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 73.42 111.112 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.412 HG22 ' HB3' ' A' ' 103' ' ' PRO . 0.6 OUTLIER -57.62 -20.75 14.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 74.42 111.177 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -87.26 -18.95 29.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 72.13 110.885 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.775 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -89.27 -68.63 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 65.0 110.88 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.775 HD12 ' HB3' ' A' ' 101' ' ' LEU . 3.9 mp -138.58 74.01 40.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.604 0.716 . . . . 73.41 111.168 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.412 ' HB3' HG22 ' A' ' 99' ' ' VAL . 54.3 Cg_endo -69.7 176.78 6.28 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 71.5 112.394 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.7 p -151.5 -170.01 3.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 74.45 110.867 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 32.3 p -51.74 160.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 72.02 111.171 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.77 6.68 40.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 42.15 110.854 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 67.7 m -82.85 -46.23 13.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 14.53 110.891 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.437 ' HB1' HG22 ' A' ' 37' ' ' ILE . . . -85.02 -17.01 38.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 73.53 111.085 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.533 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -51.74 -57.54 14.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 72.2 111.084 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.0 Cg_endo -69.78 -13.25 34.37 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.7 2.267 . . . . 62.24 112.336 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.455 HD22 HG12 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -83.51 -58.04 2.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.919 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 7.3 tt -56.17 -24.89 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 70.22 111.136 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -69.87 -21.34 76.64 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.717 -0.754 . . . . 75.24 112.504 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -86.76 -49.92 7.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 64.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.457 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 28.5 m-85 -53.24 -36.96 61.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 64.44 110.9 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 33.9 mtm -59.46 -43.47 93.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 75.33 110.9 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.05 -27.01 67.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 64.12 110.9 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -52.36 -36.83 54.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 70.34 110.914 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.702 HG22 HG13 ' A' ' 26' ' ' ILE . 70.1 p -76.69 -49.55 15.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 73.0 111.087 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -58.48 -22.47 55.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 62.35 110.91 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.43 -35.72 21.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 71.3 110.891 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -65.92 -24.42 66.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 63.42 110.858 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.505 HG21 ' CD1' ' A' ' 88' ' ' LEU . 96.3 t -58.11 -24.18 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 61.22 111.133 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -62.26 -20.05 63.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.903 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 36.4 m -58.04 -23.68 55.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.876 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.0 m -68.18 -56.35 9.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 60.53 110.816 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 34.0 pt -66.21 -26.66 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 53.34 111.151 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 27.9 tttt -78.76 -29.9 45.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 71.13 110.955 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.57 HD12 HG23 ' A' ' 19' ' ' VAL . 32.5 mt -83.69 -47.05 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 61.11 111.136 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.498 ' O ' HG12 ' A' ' 133' ' ' VAL . 21.5 p -67.82 -22.52 65.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 71.52 111.123 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -18.67 47.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 72.12 110.916 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -82.0 -21.2 37.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 75.23 110.936 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.498 HG12 ' O ' ' A' ' 130' ' ' THR . 0.6 OUTLIER -69.76 -21.08 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 63.51 111.117 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.5 pp -63.92 -22.99 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 61.11 111.104 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -51.92 -35.42 45.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 75.55 110.896 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.98 -22.39 17.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.105 -0.498 . . . . 54.4 111.12 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -78.5 -3.61 44.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 70.23 110.871 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.12 -18.25 10.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 44.14 110.839 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.15 -37.86 6.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 75.31 110.896 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.852 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.619 ' HB3' HD13 ' A' ' 12' ' ' ILE . 5.8 m-70 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.833 0.349 . . . . 74.13 110.864 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.51 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -168.35 -47.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 60.51 111.075 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.5 mmt -80.17 -44.57 19.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 70.25 110.842 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.27 -18.9 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 55.34 111.156 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.619 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.45 -28.55 7.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 75.33 111.092 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -75.14 -19.78 59.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.881 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -73.7 -31.55 63.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.865 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.4 mm -74.3 -25.17 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 74.01 111.161 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.84 -42.91 72.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.894 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -66.7 -18.84 65.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 64.51 110.907 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -76.8 -40.67 47.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 73.14 110.922 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.574 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.1 -27.85 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 55.01 111.118 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.64 ' HA ' HD12 ' A' ' 23' ' ' ILE . 3.8 t80 -80.82 -18.9 45.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 74.2 110.922 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -67.27 -50.19 61.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 65.33 110.874 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -33.72 75.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 72.4 110.917 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.64 HD12 ' HA ' ' A' ' 20' ' ' PHE . 19.7 mt -53.53 -35.14 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 64.42 111.158 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.99 -22.9 39.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 71.2 110.916 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -81.66 -58.39 3.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 45.13 110.919 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -55.61 -25.53 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 72.22 111.177 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.78 -34.37 89.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 54.15 112.452 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.1 p -91.93 -21.03 20.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 73.01 111.175 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.43 -28.22 66.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 75.3 110.905 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.2 m -81.84 -17.99 45.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 72.04 110.863 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.6 t -69.62 -20.46 23.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 75.25 111.142 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -86.22 -59.16 2.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 64.15 110.888 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.571 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -56.88 -22.42 37.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 52.41 111.088 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.09 -39.4 27.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 75.04 112.44 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.405 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.23 -23.9 23.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 75.23 110.839 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -76.15 -39.41 55.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 73.1 110.886 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.36 -40.61 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 64.43 111.104 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -63.1 -59.14 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 72.53 110.918 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.8 mm? -50.55 -35.94 32.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 72.21 110.903 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.79 -37.8 77.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 51.4 110.844 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -84.91 -38.97 18.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 74.1 110.926 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -179.43 -34.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 64.41 110.876 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.26 -27.95 14.97 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.73 -0.748 . . . . 73.12 112.482 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.02 -169.62 50.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 53.11 112.483 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.67 -142.69 4.41 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 62.1 112.507 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 54.32 -137.0 42.4 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.739 -0.743 . . . . 73.31 112.441 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.48 178.69 0.4 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 64.14 112.493 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.64 -178.53 28.3 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 73.43 112.532 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -10.74 29.29 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.7 2.267 . . . . 75.55 112.335 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.514 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -81.25 -21.97 39.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 64.24 110.88 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -80.08 -31.98 39.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 61.55 110.946 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -30.57 71.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 64.14 110.879 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.554 ' HA ' HG12 ' A' ' 56' ' ' VAL . 48.2 t -88.83 -27.95 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 72.31 111.096 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 50' ' ' LEU . 44.4 t -80.86 -28.45 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 62.02 111.109 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.64 ' OD1' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -88.83 -24.55 22.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 73.03 110.874 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.554 HG12 ' HA ' ' A' ' 53' ' ' VAL . 4.8 p -89.12 -27.98 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 71.53 111.109 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 15.4 mm -91.28 -26.04 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 32.23 111.084 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.494 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -51.38 -60.3 6.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.658 0.742 . . . . 55.11 110.875 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.7 Cg_endo -69.75 -33.35 16.79 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.689 2.259 . . . . 75.3 112.324 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.9 m -63.65 -30.97 72.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 74.02 110.842 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -52.98 -50.44 64.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 52.51 110.919 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.12 -25.74 47.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 74.25 110.866 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.1 -24.87 37.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 73.02 110.903 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.2 m -52.86 -34.37 54.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 53.05 110.82 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.69 -26.24 43.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 73.51 110.91 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 84' ' ' SER . 9.1 mt -70.24 -35.44 73.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 75.44 110.903 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.0 m -62.73 -20.68 65.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 74.13 111.149 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.51 -13.4 41.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.726 . . . . 32.12 112.484 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.759 HD23 ' HD2' ' A' ' 80' ' ' LYS . 11.1 tp -91.04 -9.67 44.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.902 0.382 . . . . 74.1 110.966 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.432 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.0 -31.9 4.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 65.43 111.17 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -97.01 1.14 49.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 75.13 110.919 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -119.24 -60.86 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 74.45 110.922 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.8 mt -140.11 74.57 30.45 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.617 0.722 . . . . 75.44 110.885 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 129.48 17.66 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.667 2.245 . . . . 74.44 112.312 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.3 m -58.24 -21.96 50.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 73.42 111.14 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -176.81 -171.63 0.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 71.43 110.873 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -16.94 59.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.857 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.9 29.0 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 64.41 112.518 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -82.6 -47.39 12.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 64.2 110.906 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.759 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -77.07 -34.67 57.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.35 110.908 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.432 ' HG2' HG21 ' A' ' 70' ' ' VAL . 16.4 mtt -68.07 -55.57 12.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 64.31 110.892 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 t -53.65 -27.55 27.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 75.35 111.148 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.534 ' O ' HG23 ' A' ' 87' ' ' VAL . 49.0 mm-40 -80.77 -30.53 36.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 72.55 110.911 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.44 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.7 OUTLIER -85.01 -21.02 29.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 60.13 110.848 -179.79 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -77.67 -52.97 8.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 70.12 110.908 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.8 t -62.13 -17.99 59.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 52.32 110.857 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 83' ' ' GLU . 3.4 t -73.63 -31.85 33.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 65.12 111.139 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.597 HD13 HG21 ' A' ' 123' ' ' VAL . 6.2 mt -70.3 -33.23 71.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 74.5 110.911 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.96 -28.16 27.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 72.01 110.926 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.3 m -87.25 -19.95 27.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 41.11 110.876 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.36 -44.25 62.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 71.22 110.923 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.5 t -54.28 -26.76 30.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 70.11 111.135 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -27.19 36.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 74.45 110.903 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.49 -29.76 52.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 64.11 110.914 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.64 HD13 ' OD1' ' A' ' 55' ' ' ASN . 8.4 tp -83.16 -28.34 29.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 65.22 110.878 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -65.17 -30.78 71.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 64.22 110.857 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -12.7 61.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 73.42 110.865 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -52.1 -24.7 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 60.42 111.126 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 56.9 t -58.21 -20.46 15.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 74.44 111.171 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -88.11 -16.0 34.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 70.33 110.876 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.603 ' HB3' HD12 ' A' ' 102' ' ' ILE . 0.6 OUTLIER -100.4 -70.96 0.72 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 73.03 110.935 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.603 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.7 mp -128.85 73.76 81.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.602 0.715 . . . . 63.32 111.119 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 113.44 3.37 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 64.15 112.336 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.0 m -75.08 -70.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 62.31 110.897 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.2 p -138.42 179.73 6.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 55.11 111.125 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.8 m -121.97 0.5 9.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.833 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.65 -37.34 7.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 71.23 110.869 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.23 -17.48 52.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 62.42 111.156 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.543 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -52.67 -57.58 15.3 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.64 0.734 . . . . 60.21 111.148 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.5 Cg_endo -69.76 -13.59 34.89 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 62.44 112.352 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.46 -53.49 6.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 73.41 110.948 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 8.4 tt -71.88 -24.62 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 72.52 111.13 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -55.76 -23.81 38.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.723 . . . . 63.03 112.462 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -84.59 -40.77 17.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.777 0.322 . . . . 74.33 110.94 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.571 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 2.7 m-85 -61.75 -39.57 92.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 74.13 110.933 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 11.3 mtp -59.2 -35.29 73.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 63.52 110.897 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.9 tt -71.94 -25.39 61.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 71.44 110.918 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -52.12 -35.58 48.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 74.34 110.86 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 22.9 m -75.58 -39.59 57.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 71.42 111.105 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.45 -32.26 73.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 75.21 110.894 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.63 -41.1 76.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 74.55 110.882 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -61.26 -22.77 65.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 73.53 110.845 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.597 HG21 HD13 ' A' ' 88' ' ' LEU . 89.5 t -57.86 -23.53 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 65.43 111.157 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -59.62 -22.62 62.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 61.2 110.845 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 39.7 m -57.33 -24.38 54.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 53.33 110.897 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.28 -54.91 38.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 71.22 110.873 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 38.7 pt -70.53 -26.26 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 71.55 111.125 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -72.24 -27.88 62.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 74.54 110.916 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.574 HD12 HG23 ' A' ' 19' ' ' VAL . 30.3 mt -84.95 -33.7 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 73.13 111.142 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 40.0 p -63.46 -22.51 66.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 75.41 111.167 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -60.16 -18.5 48.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 73.41 110.848 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -85.54 -19.65 30.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 62.44 110.87 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.516 HG21 ' CD1' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.91 -26.81 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 65.12 111.113 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -30.9 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 74.11 111.143 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -22.1 61.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.866 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.99 -44.01 7.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 73.03 111.143 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -65.47 -15.07 62.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 64.44 110.895 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -92.44 -49.2 6.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 75.32 110.819 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -52.03 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 74.12 110.841 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 70.2 110.886 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.598 ' HB3' HD13 ' A' ' 12' ' ' ILE . 2.6 m-70 . . . . . 0 CA--C 1.526 0.054 0 CA-C-O 120.794 0.33 . . . . 70.43 110.87 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.517 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -170.2 -47.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 71.53 111.135 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -44.51 19.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 62.41 110.898 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 t -90.33 -18.93 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 74.31 111.132 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.598 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.3 OUTLIER -83.37 -28.56 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 71.43 111.164 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.53 -19.84 60.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 73.11 110.903 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -83.12 -20.88 33.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 75.31 110.895 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -73.94 -24.97 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 75.24 111.121 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.5 tp -52.84 -49.19 66.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 75.12 110.904 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.95 -18.84 65.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 71.2 110.886 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -40.04 48.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.881 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.141 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.08 -27.7 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 73.24 111.168 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.453 ' HA ' HD12 ' A' ' 23' ' ' ILE . 1.9 t80 -80.91 -18.91 45.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 53.21 110.933 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -69.39 -34.9 75.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 60.3 110.869 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -35.95 74.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.22 110.864 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 20' ' ' PHE . 86.0 mt -51.96 -38.25 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 52.44 111.148 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.1 m -81.0 -23.6 38.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.893 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -77.56 -57.79 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 62.23 110.861 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.9 pp -51.67 -30.02 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 74.34 111.122 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.754 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -60.19 -41.81 98.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.749 . . . . 33.2 112.528 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -28.24 25.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.756 0.312 . . . . 71.11 111.152 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -79.79 -31.64 40.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 73.11 110.899 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.2 t -81.97 -27.23 33.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.44 110.877 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 27' ' ' GLY . 58.3 t -59.67 -20.52 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 62.33 111.118 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.77 -56.48 3.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 74.55 110.89 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.613 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -56.12 -23.35 33.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 73.22 111.095 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.73 -40.76 44.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 55.12 112.49 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.5 ' O ' HD13 ' A' ' 39' ' ' LEU . 26.0 mmm-85 -88.83 -21.86 23.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 74.21 110.828 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -78.71 -36.17 43.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 61.03 110.876 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.687 HG13 HD13 ' A' ' 111' ' ' LEU . 1.0 OUTLIER -73.11 -40.07 57.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 61.01 111.125 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.0 -45.82 63.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 71.25 110.892 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 35' ' ' ARG . 1.5 mp -51.73 -30.66 23.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 72.34 110.913 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.06 -35.16 49.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 43.13 110.899 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.734 ' NE2' ' HB2' ' A' ' 108' ' ' ALA . 64.7 mm-40 -50.85 103.96 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 65.13 110.951 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -131.21 4.39 4.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 63.22 110.897 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.52 ' HA3' HG22 ' A' ' 105' ' ' THR . . . -70.29 -30.15 69.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.792 -0.718 . . . . 63.54 112.44 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 131.08 89.34 0.49 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 71.43 112.528 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.08 -151.88 13.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 51.14 112.513 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -145.66 -81.69 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.755 -0.736 . . . . 44.14 112.495 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.16 165.28 1.28 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 51.25 112.539 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -99.65 -164.93 29.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.747 . . . . 61.33 112.528 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -9.99 27.45 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.688 2.259 . . . . 72.43 112.354 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.4 mt -73.25 -21.99 60.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 72.41 110.923 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -28.16 49.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 75.41 110.943 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.98 -38.85 86.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 75.44 110.903 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.34 -26.35 6.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 52.23 111.131 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t -75.94 -31.93 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 64.01 111.124 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.25 -24.75 22.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 75.33 110.886 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.9 t -85.8 -45.15 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 61.41 111.118 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.7 mm -75.17 -22.41 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 73.34 111.1 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.489 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.69 -60.67 5.49 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.681 0.753 . . . . 74.22 110.918 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.516 ' HB2' HD22 ' A' ' 91' ' ' LEU . 53.2 Cg_endo -69.75 -26.31 27.74 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.663 2.242 . . . . 70.2 112.312 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -35.6 80.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 75.01 110.874 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -54.69 -57.75 10.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.54 110.898 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -55.62 -25.7 40.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 72.32 110.906 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -84.31 -24.9 29.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 64.13 110.899 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.9 m -56.46 -41.35 76.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 75.52 110.83 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -68.44 -26.46 65.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 75.34 110.908 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.745 HD13 ' OG ' ' A' ' 84' ' ' SER . 72.7 mt -69.13 -38.8 79.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 75.02 110.952 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.4 m -62.63 -17.43 60.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 73.22 111.112 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.39 -13.34 38.9 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 44.04 112.492 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.77 HD23 ' HD2' ' A' ' 80' ' ' LYS . 9.7 tp -91.04 -9.36 46.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.892 0.377 . . . . 74.23 110.917 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.706 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.01 -31.68 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 71.31 111.127 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -98.15 1.09 47.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 73.03 110.856 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -123.15 -58.42 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.492 . . . . 71.44 110.935 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 tt -113.79 73.5 2.25 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.557 0.694 . . . . 64.12 110.894 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 129.08 16.97 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.625 2.216 . . . . 74.53 112.357 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.7 m -100.44 -17.55 17.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 64.12 111.201 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -178.04 -170.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.795 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.3 p -63.29 -16.37 60.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 61.51 110.873 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.86 38.29 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 64.21 112.505 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -69.79 -68.57 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 63.33 110.9 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.77 ' HD2' HD23 ' A' ' 69' ' ' LEU . 9.4 mmtt -55.58 -27.29 48.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 75.14 110.897 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.706 ' HG2' HG21 ' A' ' 70' ' ' VAL . 9.9 mtt -77.58 -61.04 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 74.55 110.869 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 t -58.24 -26.18 62.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 73.21 111.088 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -76.64 -29.23 56.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 73.35 110.866 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.745 ' OG ' HD13 ' A' ' 66' ' ' LEU . 51.1 m -85.0 -25.94 27.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 64.01 110.859 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.647 ' HA ' HD12 ' A' ' 88' ' ' LEU . 1.6 mmmt -65.21 -24.48 67.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 71.13 110.901 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.07 -17.93 59.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.873 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.2 t -77.31 -23.03 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 65.43 111.147 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.67 HD11 HG21 ' A' ' 123' ' ' VAL . 4.1 mt -68.6 -35.89 77.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 61.45 110.974 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.509 ' O ' HG22 ' A' ' 92' ' ' THR . 1.9 tppp? -79.03 -34.75 43.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 73.45 110.883 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 t -81.04 -19.99 42.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 74.04 110.88 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.516 HD22 ' HB2' ' A' ' 59' ' ' PRO . 2.0 tp -71.31 -46.03 61.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 73.35 110.94 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.9 t -53.85 -27.3 29.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 72.43 111.159 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.5 -35.76 60.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 71.15 110.906 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -83.57 -22.94 32.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 72.43 110.914 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.61 HD23 ' SD ' ' A' ' 116' ' ' MET . 19.9 tp -82.52 -23.0 34.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 70.41 110.884 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -67.66 -32.83 73.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 70.04 110.905 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -12.49 60.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 65.32 110.868 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.32 -24.75 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 71.4 111.093 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 70.8 t -57.2 -23.29 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 51.33 111.131 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -89.5 -13.74 36.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 71.55 110.867 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.618 ' C ' HD12 ' A' ' 102' ' ' ILE . 3.3 mm? -104.4 69.4 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 72.41 110.966 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.618 HD12 ' C ' ' A' ' 101' ' ' LEU . 2.4 mp 49.93 79.88 0.32 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.625 0.726 . . . . 74.41 111.181 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 151.99 69.08 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.653 2.235 . . . . 64.44 112.325 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 p -82.56 -179.95 7.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 64.45 110.87 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.52 HG22 ' HA3' ' A' ' 43' ' ' GLY . 30.4 p -59.21 -178.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 72.53 111.139 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.48 1.46 41.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 52.32 110.865 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.605 ' O ' HD12 ' A' ' 111' ' ' LEU . 0.5 OUTLIER -94.0 -35.18 12.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 73.32 110.882 -179.835 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.734 ' HB2' ' NE2' ' A' ' 41' ' ' GLN . . . -81.13 -19.45 43.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 61.5 111.137 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.54 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -61.49 -57.51 24.62 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.615 0.721 . . . . 75.43 111.139 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.4 Cg_endo -69.79 -17.71 37.29 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.247 . . . . 72.05 112.363 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.687 HD13 HG13 ' A' ' 37' ' ' ILE . 2.6 mt -83.78 -55.07 4.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 73.1 110.912 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -60.24 -23.9 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 35.41 111.135 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -71.57 -23.75 77.65 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.72 -0.752 . . . . 62.44 112.516 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -78.06 -51.67 9.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 75.3 110.881 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.613 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 34.3 m-85 -63.96 -19.05 64.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 71.43 110.904 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.61 ' SD ' HD23 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -56.14 -64.93 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 71.14 110.873 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 36.1 mt -72.49 -25.02 61.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.261 -0.427 . . . . 74.14 110.886 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -52.0 -34.91 44.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 71.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 86.7 m -78.69 -30.8 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 71.35 111.138 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.669 ' HG2' HD13 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -71.1 -38.25 72.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 72.44 110.902 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.67 -45.32 87.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 73.35 110.855 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -52.04 -31.58 30.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 70.32 110.871 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.67 HG21 HD11 ' A' ' 88' ' ' LEU . 92.8 t -54.54 -26.76 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 70.31 111.114 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.66 ' HG3' HD11 ' A' ' 127' ' ' ILE . 8.9 tt0 -62.4 -19.95 63.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 71.41 110.88 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 7.2 m -54.81 -27.45 41.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 74.54 110.839 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.439 ' O ' HG23 ' A' ' 130' ' ' THR . 22.4 m -66.92 -56.56 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 62.44 110.81 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.66 HD11 ' HG3' ' A' ' 124' ' ' GLU . 24.6 pt -66.53 -24.1 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 51.13 111.126 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.9 tttm -70.77 -57.49 4.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 61.13 110.896 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 1.141 HD12 HG23 ' A' ' 19' ' ' VAL . 28.7 mt -61.4 -47.85 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 71.01 111.118 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.525 ' O ' HG12 ' A' ' 133' ' ' VAL . 71.7 p -58.75 -22.54 58.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 64.14 111.133 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -60.02 -18.63 47.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 74.02 110.866 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -83.64 -25.47 30.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 74.2 110.9 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 130' ' ' THR . 0.5 OUTLIER -64.76 -19.13 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 33.14 111.147 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.7 pp -63.09 -23.73 34.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 74.33 111.117 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.09 -31.77 32.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 74.11 110.884 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.93 -25.36 18.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 70.14 111.137 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -32.97 65.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.845 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -77.01 -46.79 22.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 73.02 110.864 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -56.92 -71.03 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 74.31 110.861 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 63.44 110.853 -179.799 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.717 ' HB3' HD13 ' A' ' 12' ' ' ILE . 2.1 m-70 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.802 0.334 . . . . 74.45 110.848 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.52 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -171.43 -47.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 72.4 111.1 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 32.1 mmt -80.24 -44.56 19.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 72.32 110.868 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.4 m -90.3 -18.96 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 64.01 111.096 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.717 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.46 -28.48 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 63.11 111.108 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.22 -23.43 62.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 52.31 110.887 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.37 -31.46 26.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 74.2 110.847 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.8 mm -56.05 -25.04 18.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 74.13 111.124 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.4 tp -51.98 -51.99 53.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 74.01 110.933 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -66.07 -18.8 65.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 72.53 110.898 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -76.99 -40.32 47.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 65.54 110.859 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.003 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.12 -27.78 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 52.54 111.136 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.717 ' HA ' HD12 ' A' ' 23' ' ' ILE . 3.0 t80 -80.83 -18.95 45.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 73.03 110.923 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -68.36 -53.55 23.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 74.44 110.844 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -41.29 71.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 64.43 110.905 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 20' ' ' PHE . 80.4 mt -52.48 -35.53 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 63.44 111.174 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.2 m -81.0 -25.56 37.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 72.35 110.919 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.24 -54.15 6.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 74.13 110.863 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.9 tp -56.49 -24.54 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 43.44 111.108 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.411 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -80.33 -15.98 77.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 74.41 112.474 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.0 m -91.99 -23.5 19.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.755 0.312 . . . . 71.04 111.11 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -84.04 -41.04 17.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 64.41 110.882 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.5 m -62.23 -17.99 59.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 45.44 110.839 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.54 HG22 ' CZ ' ' A' ' 52' ' ' PHE . 62.6 t -60.0 -20.81 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 71.31 111.117 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -87.76 -55.05 3.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 43.24 110.911 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.45 -25.91 18.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 72.31 111.126 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.01 -40.51 88.7 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.742 . . . . 73.03 112.507 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.44 -21.48 22.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.818 0.342 . . . . 73.41 110.892 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mp -78.89 -35.62 43.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 64.31 110.938 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.539 HG23 HD13 ' A' ' 111' ' ' LEU . 1.1 mp -76.18 -50.3 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 73.25 111.088 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.9 -56.45 20.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 71.32 110.903 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mp -51.48 -36.33 43.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 72.04 110.864 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -57.24 -39.42 75.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 61.53 110.843 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.604 ' HG3' ' HB2' ' A' ' 108' ' ' ALA . 14.3 mm-40 -85.13 -41.54 15.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 63.4 110.955 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.76 -35.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 71.43 110.919 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.63 -28.2 14.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.716 -0.754 . . . . 62.4 112.466 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 52.18 -153.68 5.76 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 34.24 112.478 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.33 -114.72 0.3 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 73.1 112.521 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.14 -121.03 12.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 65.44 112.48 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.22 158.53 3.2 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.781 -0.724 . . . . 75.35 112.479 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.45 -164.93 28.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 74.12 112.476 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -9.93 27.3 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.274 . . . . 75.12 112.319 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.504 ' O ' HG23 ' A' ' 54' ' ' VAL . 5.3 mt -73.36 -21.95 60.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 60.54 110.903 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -36.64 58.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 64.13 110.927 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.54 ' CZ ' HG22 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -63.14 -30.49 71.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 74.34 110.88 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.527 ' HA ' HG12 ' A' ' 56' ' ' VAL . 48.2 t -88.63 -27.92 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 74.43 111.122 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 50' ' ' LEU . 38.7 t -80.8 -28.98 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 74.32 111.14 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.15 -24.89 23.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.884 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.527 HG12 ' HA ' ' A' ' 53' ' ' VAL . 4.8 p -88.62 -28.31 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 61.45 111.129 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.0 mm -91.15 -25.88 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 73.4 111.151 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.496 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.1 mm-40 -51.01 -60.16 6.15 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.667 0.746 . . . . 73.41 110.857 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.5 Cg_endo -69.78 -34.27 14.85 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.706 2.271 . . . . 74.34 112.336 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.1 m -63.91 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 63.11 110.916 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -56.92 -57.63 11.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 75.2 110.887 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.54 -25.74 39.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 75.33 110.905 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -85.06 -24.86 27.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 75.51 110.848 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.65 -39.38 61.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 73.51 110.84 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.573 ' O ' HD23 ' A' ' 69' ' ' LEU . 26.0 mt-10 -76.25 -24.44 54.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 72.33 110.913 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.9 mt -72.87 -45.23 59.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 74.44 110.929 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.407 HG21 ' CD2' ' A' ' 20' ' ' PHE . 6.3 t -73.64 -7.49 52.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 52.41 111.154 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -106.39 -18.61 10.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 42.4 112.471 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 65' ' ' GLU . 2.5 mm? -91.04 -22.14 20.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 75.53 110.887 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.816 HG21 ' HG2' ' A' ' 81' ' ' MET . 17.4 t -89.19 -30.52 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 71.43 111.109 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -91.77 -2.06 57.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 73.04 110.87 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -102.92 -65.11 1.02 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.471 . . . . 74.23 110.897 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.3 mt -153.11 73.0 7.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.593 0.711 . . . . 73.41 110.873 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 129.22 17.21 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.723 2.282 . . . . 62.42 112.36 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -115.59 43.83 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 71.25 111.163 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 178.01 168.47 0.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 51.23 110.855 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 m -68.41 -12.35 61.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 74.54 110.86 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 169.41 42.07 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.744 -0.741 . . . . 70.34 112.502 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.534 ' O ' HG22 ' A' ' 82' ' ' THR . 3.6 mt-10 -51.97 -61.2 2.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.956 0.408 . . . . 72.44 110.908 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -81.07 -23.18 38.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 74.13 110.879 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.816 ' HG2' HG21 ' A' ' 70' ' ' VAL . 12.0 mtt -64.51 -48.16 76.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.415 . . . . 51.14 110.897 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 79' ' ' GLU . 5.8 t -53.46 -27.9 27.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 71.43 111.135 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.75 ' O ' HG23 ' A' ' 87' ' ' VAL . 8.4 tt0 -70.0 -33.02 71.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 75.23 110.888 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.7 t -64.37 -25.88 68.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 62.14 110.845 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.7 tttt -77.3 -27.88 53.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 73.35 110.931 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.1 t -87.07 -17.96 31.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 44.4 110.852 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 83' ' ' GLU . 84.3 t -76.4 -25.85 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 71.1 111.154 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.593 HD13 ' HB3' ' A' ' 120' ' ' LYS . 53.5 mt -86.01 -35.38 20.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 72.22 110.894 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.487 ' O ' HG22 ' A' ' 92' ' ' THR . 0.2 OUTLIER -79.09 -34.51 43.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 72.51 110.853 179.869 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.4 t -81.4 -19.97 41.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 61.21 110.848 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 91' ' ' LEU . 2.1 tp -71.49 -46.61 59.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 72.21 110.9 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.6 t -53.32 -27.57 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 50.35 111.13 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -42.4 62.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.21 -0.45 . . . . 50.33 110.889 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.64 -22.81 32.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 64.22 110.878 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.68 -22.85 53.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 61.43 110.878 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -83.0 -39.5 21.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 72.45 110.864 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.32 -12.33 60.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 72.53 110.909 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.73 -24.47 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 74.04 111.137 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.487 HG22 ' HB3' ' A' ' 103' ' ' PRO . 0.5 OUTLIER -58.0 -20.24 14.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 72.12 111.116 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -86.87 -16.85 34.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 73.55 110.904 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.744 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 tp -93.0 -67.2 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 64.14 110.913 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.744 HD12 ' HB3' ' A' ' 101' ' ' LEU . 3.3 mp -137.91 74.38 44.37 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.716 . . . . 75.44 111.12 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.487 ' HB3' HG22 ' A' ' 99' ' ' VAL . 54.0 Cg_endo -69.8 146.17 59.13 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.674 2.249 . . . . 63.35 112.371 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 60.7 p -127.18 -170.02 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 63.02 110.89 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 30.1 p -51.9 163.84 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 65.44 111.117 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 t -89.74 5.15 47.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 72.42 110.863 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 57.7 m -88.6 -32.01 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 71.53 110.879 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.604 ' HB2' ' HG3' ' A' ' 41' ' ' GLN . . . -80.41 -16.95 53.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 74.21 111.122 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.537 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -62.04 -57.58 22.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.626 0.727 . . . . 63.31 111.108 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.2 Cg_endo -69.72 -18.75 37.03 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.697 2.265 . . . . 73.43 112.36 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.539 HD13 HG23 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -83.42 -49.86 8.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 75.22 110.887 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.1 tt -56.79 -24.17 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 62.34 111.093 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -52.79 -27.18 27.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 54.04 112.477 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -75.93 -51.87 11.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.792 0.329 . . . . 73.52 110.914 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -69.28 -19.03 63.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 72.13 110.903 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.29 -64.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 75.03 110.916 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.71 -24.98 61.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 50.33 110.899 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -52.08 -55.32 21.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.847 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 97.2 m -63.53 -24.8 67.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 75.15 111.13 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.593 ' HB3' HD13 ' A' ' 88' ' ' LEU . 17.3 mttt -75.53 -41.12 55.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 64.32 110.864 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -62.22 -43.04 99.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 71.11 110.869 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -52.97 -33.74 52.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 75.23 110.879 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.533 HG21 HD21 ' A' ' 88' ' ' LEU . 28.1 t -54.86 -26.35 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 61.35 111.159 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.699 ' CD ' HD11 ' A' ' 127' ' ' ILE . 0.5 OUTLIER -61.15 -19.98 62.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 74.25 110.934 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.0 m -57.88 -39.64 78.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 74.2 110.86 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -56.52 20.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 62.23 110.833 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.699 HD11 ' CD ' ' A' ' 124' ' ' GLU . 25.8 pt -66.24 -24.28 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 74.24 111.135 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -70.79 -55.08 9.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 72.1 110.904 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 1.003 HD12 HG23 ' A' ' 19' ' ' VAL . 22.8 mt -57.09 -38.74 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 74.13 111.138 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 20.4 p -78.45 -22.54 47.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 54.03 111.155 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.19 -18.42 48.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 75.45 110.873 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -84.74 -19.85 32.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 54.22 110.852 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.465 HG21 HD13 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.66 -25.7 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 63.44 111.122 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.67 -22.87 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 75.24 111.121 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -82.4 -25.39 33.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 75.52 110.87 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.08 -43.99 7.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 52.12 111.134 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -60.56 -39.38 87.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 71.22 110.869 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -64.58 -43.86 92.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 63.21 110.835 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 11.3 mtt-85 -51.98 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 75.01 110.859 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 64.51 110.823 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.639 ' HB3' HD13 ' A' ' 12' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.8 0.333 . . . . 73.43 110.852 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.508 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -170.8 -47.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 42.42 111.085 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.19 -44.46 19.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 72.14 110.867 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.36 -18.96 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 65.43 111.107 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.639 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.3 OUTLIER -83.42 -28.47 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 33.25 111.114 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -79.35 -19.77 49.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 73.24 110.859 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -81.2 -43.01 19.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 73.14 110.853 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.3 mt -56.63 -25.15 20.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 71.52 111.13 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.4 tp -55.68 -38.07 69.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 54.51 110.927 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -18.82 65.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 74.22 110.92 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.77 -40.65 47.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 75.22 110.939 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.1 -27.76 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 61.31 111.132 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.797 ' HA ' HD12 ' A' ' 23' ' ' ILE . 3.5 t80 -80.8 -19.02 45.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 75.11 110.872 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -67.52 -54.93 15.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 72.22 110.886 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.425 ' O ' HG22 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -58.34 -39.42 79.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 74.44 110.934 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.797 HD12 ' HA ' ' A' ' 20' ' ' PHE . 46.9 mt -51.69 -34.91 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 70.34 111.186 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.97 -55.6 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 71.45 110.902 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -56.55 13.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.896 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 22' ' ' LYS . 10.2 tp -54.4 -26.96 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 70.5 111.145 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.4 -36.23 92.4 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 70.31 112.477 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.0 -20.97 20.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.771 0.32 . . . . 71.23 111.141 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -72.68 -39.57 66.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 61.41 110.863 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.34 -18.0 63.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 72.34 110.827 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.6 t -61.08 -20.51 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 72.12 111.181 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -86.26 -59.25 2.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 74.21 110.873 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.428 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -55.73 -22.63 24.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 63.4 111.146 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.06 -38.71 29.39 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.744 -0.741 . . . . 75.22 112.492 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.54 -23.38 23.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.811 0.339 . . . . 74.44 110.905 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mp -77.33 -39.16 48.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 71.5 110.88 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.523 HG23 HD13 ' A' ' 111' ' ' LEU . 1.3 mp -74.13 -40.63 51.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 75.51 111.14 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -65.01 -58.67 5.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 75.43 110.878 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.415 HD12 ' HA2' ' A' ' 43' ' ' GLY . 4.6 mp -50.55 -35.8 31.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 73.0 110.942 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.9 t -58.65 -38.68 78.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 63.43 110.849 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.456 ' NE2' HD12 ' A' ' 111' ' ' LEU . 1.8 mt-30 -84.13 -40.13 18.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 72.53 110.892 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -179.57 -34.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 74.32 110.938 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.415 ' HA2' HD12 ' A' ' 39' ' ' LEU . . . 95.95 -23.74 33.01 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 54.33 112.512 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.79 -176.57 5.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 73.51 112.458 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -140.34 -110.52 0.87 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 64.41 112.499 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.583 ' HA3' HG23 ' A' ' 102' ' ' ILE . . . 52.58 -128.99 37.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 65.11 112.47 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.06 -179.83 0.42 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.685 -0.769 . . . . 24.33 112.461 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.49 179.92 51.51 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 73.54 112.447 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -10.87 29.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.643 2.229 . . . . 72.14 112.329 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.518 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -79.28 -21.96 45.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 74.3 110.913 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.57 -29.43 66.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 63.53 110.92 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -60.79 -62.06 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 70.4 110.895 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.509 HG22 ' CG1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -69.73 -26.56 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 71.02 111.14 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 t -72.63 -32.97 43.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 61.11 111.096 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -89.16 -24.66 22.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.866 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.5 t -85.93 -44.94 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 74.53 111.129 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.509 ' CG1' HG22 ' A' ' 53' ' ' VAL . 24.5 mm -75.21 -22.56 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 73.51 111.097 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.49 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.1 mt-10 -51.89 -60.52 5.91 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.608 0.718 . . . . 74.2 110.893 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.602 ' HB2' HD22 ' A' ' 91' ' ' LEU . 53.9 Cg_endo -69.76 -25.92 28.11 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.676 2.251 . . . . 74.21 112.335 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -35.93 81.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.873 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -58.99 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.876 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -55.72 -25.55 40.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 65.25 110.901 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.4 ' HA ' HD12 ' A' ' 66' ' ' LEU . 2.4 t80 -83.41 -24.79 31.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 71.41 110.92 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.09 -42.86 95.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 64.4 110.83 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -64.15 -28.47 69.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 75.32 110.898 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.738 HD13 ' OG ' ' A' ' 84' ' ' SER . 70.6 mt -66.67 -38.04 85.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 70.11 110.919 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.4 p -62.91 -16.25 58.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 60.01 111.122 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.06 -13.47 36.57 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 72.2 112.49 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.773 HD23 ' HD2' ' A' ' 80' ' ' LYS . 9.1 tp -91.03 -11.99 37.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.8 0.334 . . . . 74.12 110.906 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.73 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.04 -31.8 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 65.35 111.105 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -96.34 1.02 51.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 60.52 110.879 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -126.88 -48.08 1.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 75.43 110.882 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 26.9 tp -117.65 68.31 5.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.65 0.738 . . . . 71.22 110.924 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 129.19 17.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.713 2.275 . . . . 72.13 112.35 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.5 m -109.67 -16.65 13.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 74.33 111.095 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -177.91 -171.24 0.28 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 71.21 110.883 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.81 -16.81 59.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 64.25 110.907 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.0 39.16 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.782 -0.723 . . . . 52.53 112.526 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.67 -58.35 5.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 74.43 110.924 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.773 ' HD2' HD23 ' A' ' 69' ' ' LEU . 3.2 mmtm -69.33 -29.78 67.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 72.51 110.886 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.73 ' HG2' HG21 ' A' ' 70' ' ' VAL . 11.0 mtt -72.16 -58.27 3.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 71.13 110.899 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.4 t -56.71 -26.46 56.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 50.43 111.117 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -78.18 -22.05 49.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 72.24 110.869 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.738 ' OG ' HD13 ' A' ' 66' ' ' LEU . 20.0 m -84.99 -25.89 27.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 74.35 110.86 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.68 ' HA ' HD12 ' A' ' 88' ' ' LEU . 14.8 mttt -66.54 -35.72 80.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 63.4 110.892 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.14 -18.03 59.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 55.43 110.862 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.3 t -84.36 -23.28 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 75.14 111.108 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.68 HD12 ' HA ' ' A' ' 85' ' ' LYS . 1.6 mt -69.42 -35.74 76.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 70.22 110.936 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.496 ' O ' HG22 ' A' ' 92' ' ' THR . 14.0 mttp -79.03 -34.56 43.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 64.21 110.878 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.3 t -81.22 -20.04 41.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 72.24 110.873 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.602 HD22 ' HB2' ' A' ' 59' ' ' PRO . 2.1 tp -71.54 -46.13 60.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 74.23 110.944 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.1 t -53.79 -27.26 28.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 62.34 111.138 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -54.78 -30.79 57.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 73.52 110.909 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.58 -23.08 32.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 71.34 110.863 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.03 -40.75 19.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 72.24 110.893 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -62.76 -23.97 67.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 64.4 110.903 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -9.91 59.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 75.32 110.914 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -50.18 -25.21 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 53.54 111.158 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.1 t -58.27 -19.69 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 65.24 111.113 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -87.35 -14.93 39.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 64.24 110.863 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.641 ' C ' HD13 ' A' ' 102' ' ' ILE . 1.1 mp -110.55 -68.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.25 110.891 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.641 HD13 ' C ' ' A' ' 101' ' ' LEU . 3.2 mm -122.42 72.83 39.44 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 73.51 111.074 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 116.54 4.61 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.718 2.279 . . . . 74.32 112.288 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.0 t -105.66 -170.18 1.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 62.53 110.863 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 33.5 p -52.6 138.3 28.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 73.3 111.109 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.55 -8.6 56.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 62.32 110.821 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.3 m -79.56 -31.5 41.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 54.53 110.856 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.92 -17.01 54.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 72.54 111.057 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.539 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -54.69 -57.56 18.49 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.611 0.719 . . . . 60.13 111.105 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.76 -31.76 19.88 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.65 2.233 . . . . 74.54 112.36 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.523 HD13 HG23 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -67.62 -59.26 3.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 64.41 110.974 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.1 tp -56.14 -24.97 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 70.11 111.099 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.33 -21.04 46.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.727 . . . . 62.52 112.449 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -43.75 25.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 71.11 110.9 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.428 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 72.0 m-85 -68.12 -21.69 64.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 72.22 110.906 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 12.3 mtp -68.18 -53.49 24.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 53.13 110.886 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 19.8 mt -56.36 -25.03 47.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 74.03 110.891 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -52.0 -30.17 24.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.852 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 3.2 m -80.0 -34.36 38.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 71.2 111.16 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.465 ' O ' HG12 ' A' ' 123' ' ' VAL . 0.8 OUTLIER -76.09 -28.1 57.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 74.55 110.871 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -85.48 -17.28 36.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 73.32 110.893 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.55 -44.05 62.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 75.42 110.869 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.465 HG12 ' O ' ' A' ' 120' ' ' LYS . 7.6 p -57.19 -23.67 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 73.22 111.113 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -60.52 -20.19 59.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 72.43 110.852 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.5 t -69.68 -20.76 63.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 72.13 110.893 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.43 -55.94 6.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 73.03 110.879 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 28.5 pt -57.36 -25.08 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 72.32 111.095 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -78.13 -33.84 50.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 70.24 110.889 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 64.8 mt -76.45 -54.69 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 64.11 111.149 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.0 p -59.6 -22.49 61.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 72.31 111.165 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.18 -18.45 48.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 75.4 110.904 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.71 -19.85 32.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 74.32 110.89 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.67 -25.73 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 55.2 111.122 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.6 -22.94 14.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 72.32 111.107 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.37 -25.34 33.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 63.02 110.92 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.06 -44.02 7.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 72.52 111.163 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -60.36 -40.65 91.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 73.54 110.854 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -63.3 -43.05 98.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 74.53 110.871 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 12.3 mtt-85 -52.01 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 72.32 110.866 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 53.45 110.878 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.598 ' CB ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.791 0.329 . . . . 62.43 110.841 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.52 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -171.22 -47.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 54.42 111.088 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 28.4 mmt -80.2 -44.51 19.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 74.14 110.905 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 t -90.29 -18.94 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 75.22 111.141 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.686 HD12 HG21 ' A' ' 133' ' ' VAL . 0.3 OUTLIER -83.42 -28.46 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 74.01 111.145 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -72.37 -18.27 61.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 73.43 110.846 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -83.47 -47.48 11.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 71.32 110.81 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.0 mt -56.16 -24.98 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 65.4 111.109 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 tp -51.94 -51.46 56.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 75.55 110.883 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -65.38 -18.86 65.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.883 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.73 -40.26 49.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 73.31 110.95 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.581 HG23 HD13 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.16 -27.7 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 73.12 111.149 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.742 ' HA ' HD12 ' A' ' 23' ' ' ILE . 2.4 t80 -80.89 -18.97 45.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 64.45 110.901 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -68.32 -56.55 8.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 72.34 110.823 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -51.53 -41.05 60.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 70.34 110.934 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.742 HD12 ' HA ' ' A' ' 20' ' ' PHE . 68.0 mt -54.19 -34.76 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 54.01 111.157 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -25.72 61.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 65.21 110.911 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.99 -46.54 11.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 62.22 110.934 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.6 tp -56.48 -24.52 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 71.41 111.142 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.738 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.81 -41.7 93.44 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.771 -0.728 . . . . 54.43 112.478 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -27.66 28.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.754 0.311 . . . . 75.33 111.175 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -70.83 -38.84 73.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.9 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.6 p -82.04 -17.97 44.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 72.35 110.839 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 27' ' ' GLY . 61.8 t -73.83 -20.76 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.22 111.091 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -87.6 -55.41 3.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 65.13 110.877 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.76 -25.93 21.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 73.22 111.102 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.5 -41.02 90.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 72.44 112.529 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.567 ' O ' HD22 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -89.66 -21.84 22.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 52.21 110.891 -179.894 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mp -77.89 -35.05 51.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.919 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mp -77.34 -52.41 16.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 73.11 111.088 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -54.75 -51.36 65.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 74.02 110.849 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.567 HD22 ' O ' ' A' ' 35' ' ' ARG . 2.0 mp -50.87 -35.42 32.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 55.44 110.879 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 m -82.91 -29.6 29.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 72.23 110.864 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.696 ' NE2' ' HB2' ' A' ' 108' ' ' ALA . 0.5 OUTLIER -60.03 97.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 72.12 110.938 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -140.89 12.35 2.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 73.13 110.891 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.97 -25.56 55.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 73.43 112.504 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -131.41 -88.23 0.44 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 64.22 112.459 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 153.19 140.93 3.17 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.706 -0.759 . . . . 53.41 112.473 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.78 -169.28 38.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.711 -0.757 . . . . 73.43 112.458 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.35 -174.34 0.47 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 44.03 112.46 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -98.89 -165.05 30.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.717 -0.754 . . . . 73.13 112.481 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -9.98 27.42 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.708 2.272 . . . . 53.4 112.298 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mt -73.64 -29.67 62.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 75.54 110.932 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -35.47 77.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 64.24 110.891 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.518 ' HD2' HG23 ' A' ' 53' ' ' VAL . 1.8 t80 -64.62 -46.27 83.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 63.32 110.933 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.518 HG23 ' HD2' ' A' ' 52' ' ' PHE . 55.3 t -76.67 -29.38 18.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 71.35 111.172 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.0 t -76.18 -31.57 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 75.04 111.091 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -88.66 -24.89 22.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 53.13 110.883 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.6 t -86.06 -44.5 16.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 73.14 111.169 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.4 mm -75.31 -22.89 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 64.54 111.124 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.482 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.77 -60.46 5.96 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.67 0.748 . . . . 75.53 110.897 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.7 Cg_endo -69.8 -25.5 28.35 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.692 2.261 . . . . 73.34 112.354 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -33.17 75.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.32 110.904 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -55.76 -58.45 7.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 71.15 110.918 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -25.48 40.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 74.23 110.883 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.465 ' CG ' HD12 ' A' ' 66' ' ' LEU . 2.2 t80 -84.14 -24.93 30.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 74.33 110.893 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -40.26 69.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 52.43 110.877 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -68.92 -25.97 64.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 74.2 110.917 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.699 HD13 ' OG ' ' A' ' 84' ' ' SER . 61.2 mt -70.12 -39.28 75.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.935 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.7 m -62.61 -17.65 60.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 73.33 111.163 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.11 -13.17 40.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.792 -0.718 . . . . 51.13 112.504 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.764 HD23 ' HD2' ' A' ' 80' ' ' LYS . 9.7 tp -91.01 -9.44 45.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.369 . . . . 71.5 110.914 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.705 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -94.98 -31.67 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 72.12 111.149 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.45 ' HZ ' HG21 ' A' ' 129' ' ' ILE . 44.1 m-85 -98.05 1.03 47.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 62.45 110.887 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -123.09 -58.61 1.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 72.31 110.908 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.2 tp -113.74 73.57 2.23 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.631 0.729 . . . . 75.22 110.909 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 129.06 16.95 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 72.54 112.334 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 49.0 m -100.63 -17.17 17.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 71.2 111.158 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -178.02 -170.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 63.43 110.862 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.5 t -62.98 -16.62 60.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 64.44 110.87 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.76 38.99 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 74.23 112.493 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.84 -69.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.946 0.403 . . . . 70.52 110.875 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.764 ' HD2' HD23 ' A' ' 69' ' ' LEU . 9.8 mmtt -54.56 -26.94 35.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 73.55 110.929 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.705 ' HG2' HG21 ' A' ' 70' ' ' VAL . 9.4 mtt -78.16 -61.05 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 72.44 110.858 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 t -58.39 -26.25 63.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 73.32 111.14 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -77.49 -30.91 53.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 72.34 110.887 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.699 ' OG ' HD13 ' A' ' 66' ' ' LEU . 54.2 m -85.1 -25.69 27.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 71.4 110.847 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -65.41 -28.61 69.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 74.21 110.897 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.41 -18.06 62.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 70.44 110.833 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.8 t -79.91 -22.99 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 75.03 111.135 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.739 HD11 HG21 ' A' ' 123' ' ' VAL . 11.8 mt -68.71 -36.1 78.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 61.54 110.929 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.507 ' O ' HG22 ' A' ' 92' ' ' THR . 7.8 ttmm -79.32 -34.39 42.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 74.42 110.869 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -81.19 -19.96 42.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 75.53 110.844 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 91' ' ' LEU . 2.1 tp -70.96 -46.04 63.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 72.41 110.9 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.507 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.8 t -53.57 -27.46 26.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 75.54 111.16 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -51.95 -39.6 59.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.905 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.7 -22.93 31.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 51.45 110.843 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.05 -41.1 62.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 63.43 110.936 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -64.32 -29.04 70.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 75.04 110.898 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -12.49 61.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 63.33 110.909 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.84 -24.31 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 75.51 111.115 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.498 HG22 ' HB3' ' A' ' 103' ' ' PRO . 0.5 OUTLIER -58.25 -20.0 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 70.05 111.129 179.859 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.59 -15.75 36.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 75.21 110.9 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.96 -66.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 72.44 110.898 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.431 ' H ' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -143.21 73.96 17.72 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.71 . . . . 45.35 111.103 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.498 ' HB3' HG22 ' A' ' 99' ' ' VAL . 53.6 Cg_endo -69.69 79.07 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.722 2.281 . . . . 65.2 112.345 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.04 -74.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 53.41 110.861 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -155.41 176.99 11.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 73.55 111.157 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 34.2 m -88.26 7.41 32.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 50.31 110.833 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.699 ' O ' HD23 ' A' ' 111' ' ' LEU . 40.4 m -83.1 -46.37 12.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 55.15 110.858 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.696 ' HB2' ' NE2' ' A' ' 41' ' ' GLN . . . -79.84 -17.01 54.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 74.31 111.112 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.531 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -53.4 -57.52 16.6 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.62 0.724 . . . . 63.45 111.146 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.9 Cg_endo -69.75 -33.46 16.59 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.677 2.251 . . . . 74.43 112.321 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.699 HD23 ' O ' ' A' ' 107' ' ' SER . 2.8 mm? -51.95 -59.65 4.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 53.3 110.909 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 7.2 tt -56.12 -24.99 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 73.31 111.102 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -67.89 -32.76 78.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.72 . . . . 73.44 112.489 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -71.79 -46.56 57.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 74.11 110.915 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -77.8 -18.97 55.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 71.4 110.917 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -64.97 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 61.44 110.879 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.0 tt -60.66 -25.02 66.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 75.11 110.913 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -52.03 -30.31 24.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 71.11 110.881 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 123' ' ' VAL . 1.1 m -87.05 -27.86 22.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 63.42 111.155 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.65 -44.8 66.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 72.43 110.881 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.09 -31.96 73.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 73.5 110.905 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -63.97 -25.99 68.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 72.31 110.884 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.739 HG21 HD11 ' A' ' 88' ' ' LEU . 12.3 t -68.2 -23.03 28.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 63.43 111.074 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.81 -20.03 65.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 71.42 110.906 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.9 m -75.22 -19.96 59.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 73.12 110.844 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.7 m -63.27 -40.49 97.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 43.15 110.814 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.455 ' H ' HD12 ' A' ' 127' ' ' ILE . 1.7 mp -83.99 -24.8 7.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 72.33 111.09 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -46.91 31.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 62.03 110.896 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.581 HD13 HG23 ' A' ' 19' ' ' VAL . 1.4 tp -57.24 -28.14 29.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 63.31 111.163 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.547 ' O ' HG12 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -76.08 -22.55 55.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 72.12 111.155 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -60.02 -18.65 47.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 74.44 110.889 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.99 -31.91 25.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 51.33 110.909 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.686 HG21 HD12 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -60.14 -19.97 19.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.495 . . . . 45.23 111.179 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.6 pp -61.18 -23.6 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 72.12 111.139 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -56.59 -33.88 66.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.885 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.17 -31.46 19.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 63.25 111.157 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -66.33 -33.47 75.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 72.3 110.864 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -76.77 -51.17 11.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.4 110.838 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -53.57 -69.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 64.44 110.843 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.24 110.872 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.705 ' HB3' HD13 ' A' ' 12' ' ' ILE . 7.1 m-70 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.842 0.353 . . . . 72.05 110.816 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.518 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -171.58 -47.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 75.3 111.098 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -44.55 19.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 72.43 110.806 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 t -90.27 -18.95 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 63.35 111.118 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.705 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.49 -28.4 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 73.5 111.123 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -74.27 -20.51 60.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 53.43 110.851 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -83.05 -46.21 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.875 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.0 mt -56.25 -24.96 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 51.24 111.136 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.93 -54.1 33.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 62.21 110.933 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -61.61 -18.9 61.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.14 110.907 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 t -77.57 -38.53 48.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 74.41 110.895 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.066 HG23 HD12 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -88.14 -28.22 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 73.53 111.092 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.665 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.93 -18.97 45.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 72.45 110.874 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -71.52 -58.02 3.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.882 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -51.49 -41.37 60.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 71.52 110.935 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.665 HD12 ' HA ' ' A' ' 20' ' ' PHE . 59.7 mt -54.1 -34.98 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 73.32 111.129 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.2 m -81.02 -20.99 40.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 65.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -84.32 -59.04 2.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.872 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.2 tp -71.87 -19.99 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 74.41 111.174 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.62 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -78.65 -31.04 46.39 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 71.03 112.482 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 t -91.99 -21.0 20.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.732 0.301 . . . . 71.24 111.155 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -68.55 -32.8 73.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 65.44 110.9 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.99 -25.39 34.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 72.12 110.861 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 27' ' ' GLY . 58.1 t -70.72 -20.51 22.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 62.52 111.101 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -87.33 -55.6 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 73.21 110.881 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.24 -26.05 16.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 73.05 111.081 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.62 -39.79 90.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 63.1 112.478 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.92 -23.35 22.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.341 . . . . 64.2 110.842 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -77.75 -35.5 51.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.93 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.614 HG12 HD22 ' A' ' 111' ' ' LEU . 1.1 mp -75.83 -50.35 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 71.01 111.134 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -55.8 -57.09 13.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 62.33 110.916 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.1 mp -51.47 -36.59 45.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 75.12 110.896 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -56.36 -38.31 71.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 72.35 110.874 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.674 ' CB ' HG21 ' A' ' 105' ' ' THR . 18.0 mm-40 -85.15 -39.88 17.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 53.44 110.888 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -179.45 -34.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 64.45 110.884 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.39 -26.27 16.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 71.25 112.465 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.61 -155.24 44.87 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.712 -0.756 . . . . 70.4 112.524 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.432 ' O ' HG23 ' A' ' 102' ' ' ILE . . . -155.25 157.17 27.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 70.24 112.535 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.57 106.05 1.3 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 70.04 112.504 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.66 138.17 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 35.54 112.5 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.4 -165.39 26.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 24.51 112.5 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -9.38 25.96 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.676 2.251 . . . . 74.25 112.328 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mt -75.72 -40.28 55.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.22 110.934 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.8 -36.14 79.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 73.02 110.883 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.508 ' HE2' HG13 ' A' ' 31' ' ' VAL . 8.5 t80 -64.24 -43.48 94.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 73.21 110.885 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.2 t -78.9 -29.24 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 63.43 111.104 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 t -76.58 -30.97 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 65.11 111.153 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -88.7 -24.66 22.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 74.34 110.934 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.8 t -86.71 -44.27 16.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 63.13 111.153 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.4 mm -75.03 -23.35 17.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 71.01 111.105 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.482 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.8 mt-10 -51.97 -60.57 5.84 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.624 0.726 . . . . 35.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 54.0 Cg_endo -69.78 -23.8 30.32 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.707 2.271 . . . . 71.21 112.338 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -33.91 76.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 65.2 110.879 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -52.19 -57.83 8.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 73.14 110.855 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -25.38 41.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 63.31 110.918 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.05 -24.82 30.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 64.43 110.867 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.48 -39.59 67.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 61.41 110.827 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -65.3 -25.95 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 51.21 110.893 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.1 mt -67.9 -34.41 76.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 52.23 110.944 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.2 m -62.69 -19.37 63.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 70.14 111.151 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.2 -13.6 38.64 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.744 . . . . 51.43 112.515 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.801 HD23 ' HD2' ' A' ' 80' ' ' LYS . 10.9 tp -91.09 -9.31 46.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 63.13 110.881 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.587 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.8 t -94.99 -31.75 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 72.44 111.122 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.526 ' CE2' HG23 ' A' ' 130' ' ' THR . 31.9 m-85 -98.02 1.05 47.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.859 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -123.02 -58.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 71.52 110.956 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tt -113.78 73.6 2.27 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.661 0.743 . . . . 73.3 110.901 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 129.14 17.11 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.705 2.27 . . . . 63.22 112.327 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.2 m -103.41 -15.89 15.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 74.2 111.118 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -177.99 -170.71 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 74.2 110.881 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.24 -16.52 60.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 42.41 110.854 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.07 38.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.684 -0.769 . . . . 51.12 112.471 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.9 -55.01 16.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 73.5 110.923 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.801 ' HD2' HD23 ' A' ' 69' ' ' LEU . 10.3 mmtt -77.11 -19.97 56.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.881 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.587 ' HG2' HG21 ' A' ' 70' ' ' VAL . 13.2 mtt -80.08 -51.64 8.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 61.34 110.883 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.6 t -56.27 -27.23 54.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 71.03 111.138 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -85.31 -19.91 30.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 75.12 110.884 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 75.3 m -82.84 -26.54 31.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 54.12 110.845 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.83 -37.8 39.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 75.25 110.901 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -17.93 59.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 52.31 110.858 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.31 -35.06 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 72.54 111.111 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 80.3 mt -86.06 -33.14 21.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 73.13 110.928 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.416 ' O ' HG22 ' A' ' 92' ' ' THR . 2.6 mtpt -74.22 -37.81 63.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.5 110.921 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.6 t -81.1 -19.91 42.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.875 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 91' ' ' LEU . 2.3 tp -77.52 -48.75 16.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 71.03 110.904 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.8 t -53.72 -27.54 28.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 62.32 111.114 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.84 -38.49 56.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 75.51 110.9 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.62 -22.94 32.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 74.54 110.874 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.5 tp -78.57 -22.95 46.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 64.43 110.912 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -66.33 -31.65 72.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 63.03 110.925 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -12.52 61.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 75.34 110.842 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -52.17 -24.41 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 71.0 111.141 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.7 p -58.59 -19.81 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.45 111.128 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -88.45 -13.95 39.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 62.33 110.93 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.637 ' C ' HD13 ' A' ' 102' ' ' ILE . 1.3 mp -111.34 -69.61 0.86 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 61.14 110.856 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.637 HD13 ' C ' ' A' ' 101' ' ' LEU . 3.0 mm -121.62 71.97 28.94 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.636 0.732 . . . . 71.14 111.089 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -170.9 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 74.2 112.332 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.0 p -128.16 -170.02 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 65.01 110.887 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.674 HG21 ' CB ' ' A' ' 41' ' ' GLN . 60.8 p -86.47 -178.49 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 75.15 111.129 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.69 -7.32 59.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 62.15 110.834 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.05 -31.94 8.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 75.33 110.833 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.548 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -80.6 -17.0 52.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 52.02 111.064 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.545 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -56.49 -57.56 22.5 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.645 0.736 . . . . 74.31 111.091 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.1 Cg_endo -69.81 -23.82 30.17 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.26 . . . . 63.03 112.364 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.614 HD22 HG12 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -72.33 -60.05 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 74.45 110.9 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.548 HG22 ' O ' ' A' ' 108' ' ' ALA . 10.6 tp -66.41 -25.87 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 75.23 111.141 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.95 -26.12 69.91 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.706 -0.759 . . . . 73.43 112.482 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -84.52 -45.77 12.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.79 0.329 . . . . 71.22 110.877 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -57.24 -42.71 82.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 72.3 110.94 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -63.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 73.41 110.892 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.4 tp -61.67 -26.4 67.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 53.22 110.896 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -52.1 -60.89 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 63.25 110.884 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 54.9 m -58.84 -45.17 90.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.51 111.088 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.27 -32.36 66.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 72.04 110.87 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.74 -23.58 56.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 75.44 110.926 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -80.95 -24.47 38.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 65.32 110.894 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.1 t -58.47 -23.13 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 74.23 111.149 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -69.19 -23.07 63.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 64.33 110.882 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.9 -27.88 46.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 74.52 110.88 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.632 ' HA ' HG21 ' A' ' 19' ' ' VAL . 3.1 m -58.92 -40.68 85.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 71.44 110.89 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.444 ' H ' HD12 ' A' ' 127' ' ' ILE . 1.8 mp -83.86 -38.76 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 53.43 111.105 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -50.44 63.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.904 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 1.066 HD12 HG23 ' A' ' 19' ' ' VAL . 23.3 mt -60.72 -55.28 25.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 64.04 111.108 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.54 ' O ' HG12 ' A' ' 133' ' ' VAL . 0.8 OUTLIER -58.08 -22.53 50.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 63.21 111.121 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -59.98 -18.62 47.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 73.5 110.94 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.0 -28.44 27.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 71.22 110.868 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' ' 130' ' ' THR . 0.5 OUTLIER -63.82 -19.53 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 63.11 111.122 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.6 pp -62.84 -23.17 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 75.14 111.157 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.13 -32.01 33.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 60.21 110.888 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.48 -36.69 11.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 70.31 111.151 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -20.21 66.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 63.21 110.846 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -87.12 -46.23 9.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.872 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -54.55 -73.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.852 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 74.32 110.87 -179.808 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.627 ' HB3' HD13 ' A' ' 12' ' ' ILE . 24.2 m-70 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.793 0.33 . . . . 74.31 110.832 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.515 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -168.89 -47.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 70.21 111.096 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 29.5 mmt -80.08 -44.51 19.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 62.41 110.918 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.7 t -90.31 -18.98 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 64.43 111.119 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.627 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.3 OUTLIER -83.43 -28.52 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 72.23 111.138 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -74.18 -18.51 60.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 64.23 110.89 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -81.4 -44.39 17.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 61.12 110.865 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.2 mt -53.14 -28.9 15.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 75.3 111.113 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -41.49 74.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 71.44 110.889 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -66.67 -18.87 65.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 64.54 110.861 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 t -76.72 -40.79 47.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 41.02 110.874 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.781 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.11 -27.8 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 53.14 111.124 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.404 ' HA ' HD12 ' A' ' 23' ' ' ILE . 3.8 t80 -80.79 -18.97 45.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 62.44 110.891 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -67.05 -48.58 67.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 70.12 110.892 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -39.31 75.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 52.33 110.878 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 20' ' ' PHE . 85.1 mt -53.42 -35.13 24.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 71.42 111.127 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.7 m -80.84 -53.14 6.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 74.04 110.903 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -54.31 -58.13 8.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 60.34 110.934 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.94 -22.78 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 64.51 111.167 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.32 -25.22 74.93 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.774 -0.727 . . . . 71.34 112.489 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.9 p -92.04 -22.77 19.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.746 0.308 . . . . 72.31 111.152 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -72.58 -37.73 68.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 73.45 110.824 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -18.31 65.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 63.32 110.839 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.7 t -59.93 -20.79 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 63.4 111.133 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.7 -55.12 3.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 73.32 110.869 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.508 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -53.5 -25.97 18.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 74.14 111.057 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.87 -40.55 89.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 52.34 112.501 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.4 -21.59 22.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.364 . . . . 63.04 110.902 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 mp -78.86 -35.56 43.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.882 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mp -76.3 -50.43 22.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 54.24 111.128 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -55.72 -56.31 21.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.891 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mp -51.39 -36.66 44.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.878 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 t -57.13 -39.1 74.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 54.44 110.825 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.514 ' HG3' ' HB2' ' A' ' 108' ' ' ALA . 26.8 mm-40 -85.14 -40.65 16.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 73.55 110.944 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -179.45 -34.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 61.2 110.905 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.22 -27.4 17.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 71.43 112.481 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.47 60.51 0.34 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.746 -0.74 . . . . 64.32 112.487 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.92 -115.18 3.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 63.15 112.507 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.57 95.49 0.15 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.722 . . . . 71.44 112.471 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.18 -140.83 26.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.679 -0.772 . . . . 71.14 112.52 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -97.98 179.13 32.46 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 72.52 112.497 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -10.89 29.66 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.669 2.246 . . . . 64.23 112.344 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.516 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -78.81 -21.97 46.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 64.45 110.925 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -32.99 74.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 74.13 110.897 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -66.71 -35.53 80.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 75.23 110.891 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.523 ' HA ' HG12 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -85.77 -25.96 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 64.55 111.088 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 50' ' ' LEU . 44.2 t -82.9 -28.18 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 53.14 111.128 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -89.36 -24.75 21.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 73.32 110.872 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.523 HG12 ' HA ' ' A' ' 53' ' ' VAL . 5.1 p -88.5 -28.35 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 74.35 111.159 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 35.1 mm -91.3 -25.76 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 72.12 111.143 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.498 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -50.95 -60.31 5.83 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.662 0.744 . . . . 73.13 110.88 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.672 ' HB2' HD22 ' A' ' 91' ' ' LEU . 53.6 Cg_endo -69.7 -34.45 14.74 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 73.03 112.374 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.3 m -63.81 -30.3 71.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 61.44 110.874 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -56.97 -57.64 11.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 71.21 110.915 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -55.47 -25.96 39.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 63.14 110.907 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -84.76 -24.95 28.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 61.24 110.88 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.3 m -60.2 -44.03 95.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 72.53 110.848 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.18 -29.4 70.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 71.34 110.89 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.692 HD13 ' OG ' ' A' ' 84' ' ' SER . 37.8 mt -64.12 -31.98 73.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 63.43 110.912 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.0 m -62.54 -20.74 64.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 61.21 111.145 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -97.27 -12.59 48.23 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.757 -0.735 . . . . 65.1 112.445 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.784 HD23 ' HD2' ' A' ' 80' ' ' LYS . 13.2 tp -89.63 -17.29 28.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 64.01 110.919 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.633 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.5 t -86.79 -32.1 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 42.52 111.136 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -90.08 -7.16 54.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 73.42 110.911 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -93.42 -68.45 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 71.54 110.935 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.11 74.39 21.34 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.639 0.733 . . . . 70.31 110.96 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 129.03 16.89 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.692 2.261 . . . . 42.42 112.319 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.404 ' O ' HG22 ' A' ' 75' ' ' THR . 19.5 m -71.91 -9.26 58.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 55.24 111.128 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -177.86 -169.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 74.02 110.845 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.48 -17.84 56.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 71.23 110.874 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.27 38.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 65.53 112.504 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -70.38 -35.06 73.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.922 0.391 . . . . 64.11 110.906 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.784 ' HD2' HD23 ' A' ' 69' ' ' LEU . 1.1 mmtt -81.08 -33.81 33.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 71.54 110.893 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.633 ' HG2' HG21 ' A' ' 70' ' ' VAL . 6.6 mtm -77.22 -47.45 20.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 71.45 110.927 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.9 t -53.25 -29.66 33.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 61.12 111.149 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -81.62 -29.21 33.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 73.41 110.849 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.692 ' OG ' HD13 ' A' ' 66' ' ' LEU . 4.6 m -77.98 -26.6 48.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 51.12 110.885 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.535 ' HA ' HD12 ' A' ' 88' ' ' LEU . 24.1 ttpt -63.07 -19.99 64.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 74.53 110.916 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.94 -17.92 48.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 63.14 110.86 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.5 t -74.13 -25.56 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 65.43 111.104 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.797 HD11 HG21 ' A' ' 123' ' ' VAL . 2.3 mt -68.62 -35.65 77.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 73.02 110.903 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.491 ' O ' HG22 ' A' ' 92' ' ' THR . 0.0 OUTLIER -77.89 -35.26 51.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.879 179.842 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.2 m -81.32 -19.99 41.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 72.13 110.851 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.672 HD22 ' HB2' ' A' ' 59' ' ' PRO . 2.2 tp -72.88 -46.91 50.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 72.42 110.94 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.3 t -53.7 -27.51 28.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 62.52 111.104 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -35.87 60.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 61.32 110.918 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.56 -23.01 32.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.506 . . . . 73.32 110.925 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.0 tp -78.77 -38.48 38.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 73.54 110.943 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.449 ' O ' HG23 ' A' ' 99' ' ' VAL . 10.8 mttt -65.53 -29.91 70.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.856 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.69 -12.37 61.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.918 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.65 -24.52 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 71.42 111.14 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 96' ' ' LYS . 23.4 t -58.03 -20.28 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 54.24 111.154 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -88.24 -15.94 34.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 63.32 110.894 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.51 -67.35 0.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 63.32 110.901 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.423 ' H ' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -144.61 74.22 15.19 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.599 0.714 . . . . 72.12 111.132 179.869 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 78.67 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.64 2.227 . . . . 62.12 112.352 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.93 -74.46 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 70.13 110.871 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.609 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.8 OUTLIER -55.34 100.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 42.22 111.164 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.0 m -98.25 -33.86 10.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 55.55 110.823 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.33 -31.44 54.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 72.02 110.871 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.514 ' HB2' ' HG3' ' A' ' 41' ' ' GLN . . . -80.36 -17.0 53.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 75.23 111.099 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 105' ' ' THR . 2.1 t -51.75 -57.53 14.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.592 0.711 . . . . 72.1 111.113 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.4 Cg_endo -69.81 -14.56 36.1 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.681 2.254 . . . . 73.33 112.283 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.05 -42.44 16.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 54.03 110.886 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.468 HG22 ' O ' ' A' ' 109' ' ' VAL . 0.9 OUTLIER -56.44 -24.58 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 73.22 111.138 179.858 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -52.18 -27.86 24.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.757 . . . . 60.52 112.551 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -37.69 66.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 73.12 110.922 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.508 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 90.9 m-85 -83.04 -26.01 31.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 75.55 110.958 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.54 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 72.21 110.865 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.96 -25.08 57.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 62.13 110.899 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.05 -30.33 59.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 71.52 110.887 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 123' ' ' VAL . 91.6 m -77.33 -24.87 50.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 62.31 111.181 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.459 ' HG2' HD22 ' A' ' 88' ' ' LEU . 16.8 mtmt -81.97 -49.47 10.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.898 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -58.44 -41.04 84.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 65.22 110.885 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -57.54 -31.77 66.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 73.25 110.859 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.797 HG21 HD11 ' A' ' 88' ' ' LEU . 46.9 t -56.34 -24.65 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 63.01 111.117 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -67.21 -19.98 65.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 71.1 110.869 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 43.3 m -63.87 -35.18 79.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.866 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.0 m -66.91 -55.36 14.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 72.42 110.881 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 28.6 pt -65.15 -24.31 35.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.494 . . . . 65.24 111.155 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -74.1 -54.15 8.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 72.42 110.901 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.781 HD12 HG23 ' A' ' 19' ' ' VAL . 17.2 mt -58.72 -48.66 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 72.13 111.109 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.465 HG21 ' HE1' ' A' ' 81' ' ' MET . 31.9 p -61.0 -22.51 64.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 73.32 111.137 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.22 -18.35 47.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 73.12 110.919 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -84.72 -19.91 31.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 72.21 110.899 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.553 HG21 ' CD1' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.58 -25.67 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 72.21 111.16 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.78 -22.88 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 63.12 111.122 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.86 -24.66 33.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.868 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.07 -43.98 7.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 64.53 111.15 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -60.94 -30.58 70.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 74.33 110.89 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -76.09 -52.05 10.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 64.51 110.881 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -52.0 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.92 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 43.22 110.903 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.655 ' HB3' HD13 ' A' ' 12' ' ' ILE . 41.1 m170 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.832 0.349 . . . . 73.03 110.85 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.514 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -168.61 -50.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 74.34 111.077 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.449 ' HA ' ' HE3' ' A' ' 10' ' ' MET . 8.1 mmm -78.11 -43.88 27.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.868 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -90.21 -19.15 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 71.14 111.14 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.655 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.3 OUTLIER -83.3 -28.42 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 64.32 111.097 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -78.49 -20.05 51.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 71.23 110.872 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.24 -33.3 56.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 71.42 110.866 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.3 mm -65.4 -25.4 36.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 41.25 111.135 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 tt -54.71 -44.82 73.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 63.41 110.9 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -66.78 -18.73 65.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.911 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.79 -40.8 46.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 75.2 110.867 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.765 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.13 -27.8 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 65.44 111.098 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.71 ' HA ' HD12 ' A' ' 23' ' ' ILE . 4.1 t80 -80.79 -19.03 45.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.849 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -67.02 -53.38 31.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 44.51 110.875 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -35.15 79.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 54.04 110.923 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 20' ' ' PHE . 38.5 mt -53.89 -33.49 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 70.23 111.145 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.03 -24.7 37.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 70.33 110.871 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.63 -48.17 14.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.889 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -23.35 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 73.23 111.113 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.94 -26.87 47.83 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 64.31 112.484 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.43 -21.72 20.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 74.44 111.182 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -84.15 -31.8 25.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 72.21 110.873 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 t -69.24 -18.16 63.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 70.32 110.849 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.7 t -69.46 -20.46 24.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 73.13 111.134 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -86.2 -59.2 2.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 72.13 110.886 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.542 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -56.3 -21.58 24.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 61.24 111.06 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -79.58 -37.95 22.13 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.764 -0.731 . . . . 63.43 112.522 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.583 ' O ' HD22 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -87.7 -25.16 23.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.339 . . . . 71.35 110.864 -179.899 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 mp -77.85 -40.17 41.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 75.43 110.901 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 37' ' ' ILE . 21.5 mm -75.17 -54.0 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 54.13 111.145 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -50.89 -54.88 20.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 75.24 110.904 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.583 HD22 ' O ' ' A' ' 35' ' ' ARG . 3.1 mp -49.94 -37.27 31.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 74.41 110.941 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -42.23 98.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 75.3 110.865 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.82 ' HG3' ' HB2' ' A' ' 108' ' ' ALA . 23.9 mm-40 -75.87 -41.54 51.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 72.4 110.936 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -177.7 -35.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 51.24 110.885 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.64 2.46 90.53 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 62.11 112.449 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.2 153.69 7.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 74.4 112.511 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.526 ' CA ' HG21 ' A' ' 102' ' ' ILE . . . 171.32 138.55 2.56 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 73.51 112.498 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.24 -87.79 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 71.12 112.441 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.83 -133.82 0.1 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 71.44 112.464 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -97.86 -178.55 33.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.799 -0.715 . . . . 65.21 112.481 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -10.86 29.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.703 2.269 . . . . 52.43 112.322 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.509 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -80.4 -21.94 41.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 74.12 110.923 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.94 -30.83 26.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 73.02 110.925 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -65.51 -46.22 80.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 65.3 110.877 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.711 HG22 ' CD1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -77.75 -26.09 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 63.51 111.145 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.7 t -79.5 -31.18 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 73.32 111.14 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -89.11 -24.79 22.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 73.23 110.892 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.1 t -85.71 -44.97 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 73.25 111.115 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.711 ' CD1' HG22 ' A' ' 53' ' ' VAL . 69.5 mt -75.16 -22.8 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 72.22 111.156 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.492 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.8 mt-10 -51.48 -60.49 5.76 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.604 0.716 . . . . 75.01 110.857 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.494 ' HB2' HD22 ' A' ' 91' ' ' LEU . 54.0 Cg_endo -69.77 -32.63 18.17 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.683 2.255 . . . . 73.42 112.308 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 63.2 m -64.28 -30.04 71.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 75.42 110.902 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -58.56 7.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 71.14 110.873 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -25.8 40.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 73.45 110.886 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.18 -24.86 29.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 64.22 110.897 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.02 -38.6 62.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 71.34 110.838 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -56.78 -26.78 58.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 62.24 110.875 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.546 HD12 ' HB2' ' A' ' 84' ' ' SER . 9.0 mt -67.13 -34.91 78.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 73.53 110.914 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.5 m -62.65 -19.24 63.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 73.03 111.175 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.44 -14.45 32.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.7 -0.762 . . . . 30.33 112.461 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.795 HD23 ' HD2' ' A' ' 80' ' ' LYS . 10.0 tp -91.06 -8.87 47.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.853 0.359 . . . . 62.25 110.913 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.598 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.08 -31.67 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 60.33 111.103 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -98.44 1.1 46.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 61.23 110.88 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -123.12 -58.19 1.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 71.03 110.91 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.9 tp -113.93 73.04 2.26 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.604 0.716 . . . . 62.42 110.896 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 129.12 17.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 24.01 112.376 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.7 m -103.06 -14.52 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 72.44 111.145 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -177.97 -171.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 74.51 110.877 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -16.78 60.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 73.23 110.839 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.02 39.18 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.754 -0.736 . . . . 61.41 112.497 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -66.65 -64.94 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.935 0.398 . . . . 75.44 110.852 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.795 ' HD2' HD23 ' A' ' 69' ' ' LEU . 4.0 mmtm -64.58 -21.1 66.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 70.43 110.887 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.598 ' HG2' HG21 ' A' ' 70' ' ' VAL . 17.0 mtt -78.96 -60.34 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 73.12 110.87 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.2 t -56.77 -27.66 59.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 64.42 111.148 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -75.71 -20.67 58.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 74.24 110.903 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.546 ' HB2' HD12 ' A' ' 66' ' ' LEU . 1.8 p -83.76 -26.28 29.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 72.31 110.876 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.467 ' HA ' HD12 ' A' ' 88' ' ' LEU . 4.6 tttm -64.72 -44.62 89.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 70.52 110.899 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -17.92 59.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 63.14 110.875 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.6 t -77.73 -23.01 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 53.01 111.158 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.681 HD11 HG21 ' A' ' 123' ' ' VAL . 6.2 mt -85.21 -34.02 22.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 70.5 110.873 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.427 ' O ' HG22 ' A' ' 92' ' ' THR . 0.9 OUTLIER -78.14 -34.31 49.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 73.32 110.912 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 70.1 m -82.52 -20.0 37.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 65.32 110.858 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.494 HD22 ' HB2' ' A' ' 59' ' ' PRO . 3.8 tp -74.78 -47.85 28.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 65.04 110.881 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.4 t -53.29 -27.65 24.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 55.35 111.12 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.21 -35.11 59.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 60.22 110.95 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.6 -23.0 32.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 74.32 110.905 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.5 tp -81.95 -26.16 34.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 74.52 110.945 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.489 ' O ' HG23 ' A' ' 99' ' ' VAL . 11.6 mttt -67.35 -31.8 72.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 62.44 110.861 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -12.66 61.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 70.33 110.873 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.97 -24.58 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 75.22 111.121 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 96' ' ' LYS . 26.9 t -57.56 -21.14 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 74.11 111.11 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -87.35 -18.82 29.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 71.51 110.866 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.785 ' HB3' HD12 ' A' ' 102' ' ' ILE . 0.5 OUTLIER -88.47 -69.33 0.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.912 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.785 HD12 ' HB3' ' A' ' 101' ' ' LEU . 3.8 mp -138.39 74.07 41.79 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.732 . . . . 71.41 111.121 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 88.09 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.675 2.25 . . . . 62.01 112.337 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.6 p -52.85 -73.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 64.14 110.805 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 67.9 p -142.85 154.92 44.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 72.33 111.125 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.0 m -88.22 -13.33 41.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 63.23 110.886 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 70.7 m -75.94 -33.34 59.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 61.41 110.864 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.82 ' HB2' ' HG3' ' A' ' 41' ' ' GLN . . . -81.14 -17.95 48.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 55.31 111.098 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.527 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -52.52 -57.62 14.97 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.721 . . . . 71.43 111.104 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.2 Cg_endo -69.73 -13.51 34.86 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.661 2.241 . . . . 51.3 112.359 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.32 -43.33 16.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 74.53 110.921 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.443 HG22 ' O ' ' A' ' 109' ' ' VAL . 0.4 OUTLIER -57.25 -24.52 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 62.44 111.129 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -59.37 -20.86 52.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 72.2 112.488 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -83.57 -47.02 11.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 74.14 110.927 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.542 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 33.5 m-85 -69.26 -42.15 75.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 71.23 110.909 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 15.1 mtm -58.8 -49.58 77.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 62.23 110.854 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.96 -25.8 67.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 62.12 110.894 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -52.04 -47.03 65.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 72.52 110.869 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 123' ' ' VAL . 48.5 m -70.56 -26.63 63.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 71.54 111.178 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.426 ' HG2' HD13 ' A' ' 88' ' ' LEU . 5.0 mtmt -74.01 -36.78 64.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 75.43 110.911 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.97 -32.61 65.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 72.51 110.861 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -66.23 -27.8 68.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 75.05 110.886 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.681 HG21 HD11 ' A' ' 88' ' ' LEU . 44.1 t -58.93 -26.61 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 75.24 111.108 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.36 -20.6 65.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 72.44 110.905 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.1 t -57.4 -24.29 54.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 45.52 110.926 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 67.7 m -60.41 -49.21 78.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 62.43 110.849 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 38.6 pt -78.73 -27.23 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 71.25 111.156 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -71.09 -40.88 71.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 72.11 110.921 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.765 HD12 HG23 ' A' ' 19' ' ' VAL . 26.8 mt -72.45 -51.4 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.05 111.106 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.523 ' O ' HG12 ' A' ' 133' ' ' VAL . 72.8 p -60.13 -22.59 63.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 70.4 111.126 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -60.02 -18.61 47.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 75.22 110.9 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -29.04 27.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.881 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 130' ' ' THR . 0.5 OUTLIER -60.54 -19.69 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 73.22 111.131 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.7 pp -62.51 -23.13 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 74.21 111.128 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -52.38 -31.28 33.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 64.12 110.921 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.67 -36.33 14.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 72.41 111.159 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.65 -15.21 62.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 72.04 110.873 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -92.08 -44.46 8.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 65.21 110.829 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.94 -74.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 75.14 110.86 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 72.34 110.846 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.778 0.323 . . . . 75.54 110.884 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.751 ' HB1' ' HB2' ' A' ' 5' ' ' HIS . . . -71.85 142.78 49.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 73.1 111.127 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -106.02 -73.69 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 71.53 110.878 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -77.92 -31.24 51.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 70.04 110.841 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.751 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 17.6 m80 -54.18 104.63 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 75.52 110.844 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.0 p80 -103.03 -26.72 12.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 70.13 110.867 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -68.97 155.07 40.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 73.05 110.825 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.604 ' HB3' HD13 ' A' ' 12' ' ' ILE . 30.2 m-70 -141.83 109.53 5.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 73.32 110.842 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.519 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -168.15 -47.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 45.33 111.088 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 21.1 mmt -80.13 -44.49 19.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 74.13 110.916 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.8 t -90.28 -18.95 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 63.2 111.124 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.604 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.43 -28.5 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 63.04 111.138 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -78.43 -18.03 55.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 73.12 110.846 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.98 -34.52 38.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 70.35 110.839 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.6 mt -55.94 -25.33 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 61.14 111.138 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.469 HD13 ' CD1' ' A' ' 71' ' ' PHE . 15.5 tp -56.18 -36.26 68.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 74.3 110.969 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -61.39 -18.79 60.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 71.41 110.872 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.0 t -76.96 -39.22 51.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 54.45 110.846 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.633 HG23 ' CD1' ' A' ' 129' ' ' ILE . 0.5 OUTLIER -88.19 -28.19 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 71.42 111.094 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.518 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.86 -19.02 45.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 72.23 110.893 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -69.21 -54.93 12.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 74.21 110.867 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -34.43 78.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 51.22 110.944 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' A' ' 20' ' ' PHE . 23.9 mt -52.92 -32.82 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 74.24 111.134 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.5 m -80.76 -28.64 36.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 74.02 110.866 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' O ' HG22 ' A' ' 28' ' ' THR . 3.8 tttm -76.08 -58.98 2.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.915 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.0 tt -59.36 -26.56 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 62.23 111.128 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.504 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -60.23 -38.88 95.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 32.34 112.466 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 25' ' ' LYS . 8.8 t -91.4 -23.65 19.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 74.04 111.152 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.02 -32.13 66.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 62.22 110.895 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 t -74.07 -34.25 63.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 63.33 110.866 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 27' ' ' GLY . 29.7 t -62.09 -20.46 24.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 75.54 111.17 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -86.14 -59.21 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 71.32 110.87 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.42 ' HB1' ' CE1' ' A' ' 115' ' ' TYR . . . -56.98 -21.84 33.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 73.13 111.108 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.25 -38.74 24.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 41.12 112.495 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.44 -23.91 23.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 73.12 110.873 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -76.75 -39.5 51.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 54.31 110.932 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mp -73.69 -40.64 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 75.2 111.095 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -65.09 -58.96 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 71.12 110.918 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 mp -50.72 -36.07 34.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 74.02 110.936 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.2 m -58.22 -38.16 76.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 73.03 110.869 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.543 ' CD ' ' HB2' ' A' ' 108' ' ' ALA . 1.8 mt-30 -83.23 -39.6 20.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 70.21 110.901 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -179.61 -34.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 33.2 110.883 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.87 9.74 75.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 44.01 112.473 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.17 151.49 7.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.807 -0.711 . . . . 60.44 112.505 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 156.99 147.17 4.69 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 74.53 112.473 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.781 ' HA3' HG21 ' A' ' 102' ' ' ILE . . . -76.97 -78.58 0.73 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.795 -0.717 . . . . 64.04 112.476 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.28 172.22 0.35 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 64.11 112.486 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -90.24 -178.82 44.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.693 -0.765 . . . . 63.52 112.504 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -10.69 29.19 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.67 2.247 . . . . 64.42 112.381 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.516 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -81.02 -22.05 39.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 75.21 110.879 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -75.86 -31.69 59.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 73.43 110.933 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.416 ' HE2' HG22 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -63.07 -35.62 80.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 72.45 110.874 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.714 HG22 ' CD1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -87.5 -26.16 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 74.12 111.118 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 50' ' ' LEU . 24.5 t -78.96 -30.24 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 74.24 111.128 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.23 -24.76 22.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 72.1 110.91 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 t -86.54 -44.39 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 63.1 111.114 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.714 ' CD1' HG22 ' A' ' 53' ' ' VAL . 69.6 mt -75.08 -23.26 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 73.2 111.099 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.493 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -51.79 -60.52 5.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.605 0.717 . . . . 74.31 110.907 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.569 ' CG ' HD22 ' A' ' 91' ' ' LEU . 53.8 Cg_endo -69.74 -32.76 18.04 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.727 2.285 . . . . 63.41 112.297 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 57.8 m -64.13 -29.98 71.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 74.24 110.892 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.82 -59.26 5.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 53.43 110.912 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -55.69 -25.7 41.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 74.43 110.862 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.497 ' HD1' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -83.66 -24.87 31.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 75.21 110.867 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.95 -35.14 63.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 71.24 110.899 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.31 -23.26 67.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 74.4 110.866 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.497 HD12 ' HD1' ' A' ' 63' ' ' PHE . 15.9 mt -66.42 -34.88 78.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 72.24 110.936 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.2 p -62.79 -16.86 59.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 65.35 111.132 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.63 -14.61 29.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 50.13 112.468 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.757 HD23 ' HD2' ' A' ' 80' ' ' LYS . 9.7 tp -91.07 -11.1 39.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.894 0.378 . . . . 70.12 110.935 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.722 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.08 -31.82 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 73.31 111.104 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.469 ' CD1' HD13 ' A' ' 16' ' ' LEU . 38.7 m-85 -96.52 0.98 50.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 74.41 110.911 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -124.23 -56.08 1.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 71.21 110.951 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.412 HD12 HD11 ' A' ' 69' ' ' LEU . 87.0 mt -114.03 72.67 2.26 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.575 0.702 . . . . 62.32 110.909 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 129.25 17.24 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.68 2.253 . . . . 64.31 112.321 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.8 m -111.4 -15.82 13.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 74.35 111.138 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -177.81 -172.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.14 110.875 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -62.96 -16.73 60.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.872 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.93 39.36 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 73.35 112.458 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.531 ' O ' HG22 ' A' ' 82' ' ' THR . 5.4 mm-40 -61.84 -53.48 55.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.89 0.376 . . . . 74.04 110.861 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.757 ' HD2' HD23 ' A' ' 69' ' ' LEU . 7.2 mmtp -80.97 -20.05 42.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 75.12 110.94 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.722 ' HG2' HG21 ' A' ' 70' ' ' VAL . 14.8 mtt -76.8 -40.19 48.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 75.51 110.872 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 79' ' ' GLU . 2.1 t -57.21 -25.92 59.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 62.25 111.133 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.733 ' O ' HG23 ' A' ' 87' ' ' VAL . 1.3 mt-10 -80.11 -20.03 45.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 64.52 110.896 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.8 m -73.48 -26.24 60.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 63.4 110.872 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -82.16 -20.97 36.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 74.54 110.921 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 43.3 t -87.02 -17.99 31.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 72.41 110.823 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 83' ' ' GLU . 77.9 t -80.69 -29.98 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 52.43 111.101 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.626 ' CD1' HG21 ' A' ' 123' ' ' VAL . 20.4 mt -86.03 -32.93 21.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 73.31 110.937 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.476 ' O ' HG22 ' A' ' 92' ' ' THR . 0.3 OUTLIER -78.36 -35.12 47.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.906 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.7 p -80.91 -20.07 42.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 65.21 110.845 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.569 HD22 ' CG ' ' A' ' 59' ' ' PRO . 2.1 tp -73.34 -47.73 40.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 65.52 110.934 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.476 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.3 t -53.63 -27.52 27.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 63.25 111.142 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -52.02 -39.13 59.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 75.23 110.904 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.6 -22.92 32.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 71.55 110.927 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.43 -23.01 43.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 73.14 110.909 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.466 ' O ' HG22 ' A' ' 99' ' ' VAL . 13.1 mmtt -72.75 -33.83 66.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 64.31 110.914 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -12.44 61.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 64.43 110.902 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.93 -24.44 4.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 72.31 111.15 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 96' ' ' LYS . 6.8 m -58.19 -20.14 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 73.04 111.11 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -88.34 -16.26 33.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 64.23 110.878 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.7 -65.98 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.876 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.781 HG21 ' HA3' ' A' ' 46' ' ' GLY . 1.0 OUTLIER -144.71 74.23 15.01 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.683 0.754 . . . . 73.52 111.152 179.866 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 144.55 54.32 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.663 2.242 . . . . 72.33 112.307 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.76 136.72 3.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 52.21 110.843 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.521 HG21 ' HB2' ' A' ' 41' ' ' GLN . 0.2 OUTLIER 59.52 98.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 75.53 111.135 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.9 t -81.01 -11.61 59.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.32 110.85 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.7 m -84.74 -31.62 23.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 63.33 110.841 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.543 ' HB2' ' CD ' ' A' ' 41' ' ' GLN . . . -80.18 -16.96 53.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 45.23 111.076 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.54 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -56.83 -57.53 23.5 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.719 . . . . 64.12 111.154 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.8 Cg_endo -69.77 -18.97 36.64 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.666 2.244 . . . . 65.42 112.319 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.66 -54.51 7.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 62.44 110.908 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 37.8 pt -57.03 -24.23 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 75.32 111.132 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -52.93 -32.18 41.05 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 73.04 112.486 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -78.36 -28.49 47.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 75.44 110.943 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.42 ' CE1' ' HB1' ' A' ' 33' ' ' ALA . 10.3 m-85 -80.92 -33.34 34.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 64.22 110.946 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 7.6 mtm -65.59 -55.25 18.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 73.4 110.837 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -27.26 69.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 75.15 110.878 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -52.03 -54.41 30.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 74.11 110.918 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.471 ' O ' HG23 ' A' ' 123' ' ' VAL . 2.1 m -61.91 -31.37 71.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 63.15 111.101 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.07 -35.04 69.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 73.02 110.88 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -69.83 -43.44 71.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 73.21 110.865 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -55.32 -30.85 61.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.931 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.626 HG21 ' CD1' ' A' ' 88' ' ' LEU . 39.6 t -56.44 -24.62 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.504 . . . . 72.53 111.131 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.416 ' O ' HD12 ' A' ' 127' ' ' ILE . 23.9 tt0 -60.87 -20.19 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 71.45 110.911 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 28.0 p -52.25 -30.0 25.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.854 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.5 t -54.28 -40.59 67.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 75.41 110.848 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.43 ' H ' HD12 ' A' ' 127' ' ' ILE . 1.9 mp -83.91 -40.56 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 65.22 111.089 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -31.76 62.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 74.33 110.867 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.633 ' CD1' HG23 ' A' ' 19' ' ' VAL . 6.9 mt -78.28 -50.54 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 74.44 111.143 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 58.6 p -59.75 -22.53 62.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 75.2 111.119 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.18 -18.42 47.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 70.23 110.857 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -84.66 -19.89 32.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 71.43 110.862 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.51 -25.58 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 72.04 111.099 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -78.17 -22.81 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 74.24 111.107 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.52 -22.91 32.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 54.52 110.913 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.17 -34.34 11.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 74.13 111.083 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -69.71 -45.73 67.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 71.04 110.879 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.55 -17.92 61.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 74.32 110.841 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.21 -33.83 14.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 74.15 110.867 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 11.4 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 71.33 110.9 -179.839 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mtm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.821 0.344 . . . . 71.02 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.22 -54.56 4.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 63.02 111.122 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.1 t60 62.18 165.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 72.35 110.883 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -102.06 99.93 10.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.853 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -155.74 -174.56 5.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 63.41 110.858 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -142.58 -43.27 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 55.3 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -103.44 -177.4 3.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 70.23 110.864 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -124.71 106.19 9.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 65.55 110.899 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.51 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -172.51 -47.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 65.14 111.086 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -44.64 19.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 73.23 110.879 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.6 m -90.21 -19.02 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 61.53 111.137 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.51 HG22 ' CA ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -83.42 -28.52 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 71.22 111.119 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.88 -21.15 61.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 72.21 110.845 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -76.96 -47.78 19.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 74.21 110.855 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.1 mt -56.07 -24.99 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 74.34 111.145 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.777 HD12 ' HB2' ' A' ' 71' ' ' PHE . 4.5 tt -54.04 -45.12 71.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 61.24 110.914 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -18.81 65.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 74.52 110.902 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.71 -40.41 48.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 72.24 110.873 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.05 -27.76 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 73.21 111.135 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.612 ' HA ' HD12 ' A' ' 23' ' ' ILE . 2.5 t80 -80.9 -18.93 45.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 70.04 110.851 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.3 -51.91 39.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 55.33 110.861 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -32.7 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.862 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 20' ' ' PHE . 41.7 mt -55.22 -33.67 31.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 75.11 111.094 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -80.94 -60.93 2.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 71.12 110.936 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -51.95 -59.02 4.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 72.14 110.896 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.51 -24.46 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 75.12 111.111 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.615 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -53.41 -30.01 40.0 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.732 . . . . 70.44 112.478 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.4 p -92.04 -20.96 20.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 73.2 111.145 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -69.26 -34.11 74.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 71.3 110.858 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.9 m -80.18 -22.09 42.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 63.42 110.884 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 27' ' ' GLY . 58.3 t -72.86 -20.5 19.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 42.25 111.089 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -86.78 -54.87 4.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 53.52 110.892 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.647 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -56.21 -21.88 25.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 52.31 111.093 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.78 -40.39 26.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 63.41 112.483 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -88.45 -19.98 25.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.91 0.386 . . . . 71.05 110.865 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -80.81 -38.72 27.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 73.13 110.961 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mp -72.87 -44.7 57.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 70.52 111.145 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.64 -58.9 6.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 61.42 110.87 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.1 mp -51.17 -36.35 40.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 75.21 110.978 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 m -58.38 -38.18 76.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 64.52 110.877 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.434 ' OE1' ' HB2' ' A' ' 108' ' ' ALA . 1.8 mt-30 -84.1 -39.25 19.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 72.31 110.896 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -179.43 -34.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 63.53 110.897 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.68 4.27 89.29 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 74.32 112.481 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.88 121.42 19.23 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 70.22 112.512 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.71 172.82 40.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 54.11 112.508 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.782 ' HA3' HD13 ' A' ' 102' ' ' ILE . . . -78.47 145.14 28.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 61.52 112.477 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.16 -142.32 23.38 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.808 -0.71 . . . . 73.15 112.49 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.81 -178.77 22.9 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 62.12 112.488 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -10.77 29.37 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.259 . . . . 53.5 112.348 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.518 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -80.73 -22.2 40.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 74.2 110.926 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -67.48 -31.21 71.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 62.42 110.9 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -60.34 -53.03 62.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 73.12 110.914 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.8 m -67.12 -31.69 54.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 65.41 111.131 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.3 t -70.92 -42.78 77.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 72.3 111.13 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.11 -24.51 40.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 73.02 110.888 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.0 t -84.02 -45.98 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 65.44 111.09 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 84.5 mt -75.77 -21.95 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 71.34 111.125 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.498 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 3.0 mt-10 -50.6 -60.28 5.72 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.631 0.729 . . . . 72.35 110.918 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.566 ' CG ' HD22 ' A' ' 91' ' ' LEU . 53.6 Cg_endo -69.74 -31.21 21.04 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.722 2.281 . . . . 73.12 112.309 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 68.1 m -64.54 -32.07 73.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 55.22 110.899 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -56.08 -59.83 4.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 65.25 110.881 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -25.51 41.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 54.14 110.926 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.511 ' HD1' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -83.12 -24.83 32.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 72.22 110.875 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 61.5 m -53.72 -32.91 53.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 63.23 110.859 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -58.2 -24.04 57.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 65.42 110.892 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.511 HD12 ' HD1' ' A' ' 63' ' ' PHE . 21.8 mt -68.27 -33.75 74.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 64.21 110.877 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.7 p -69.16 -11.3 60.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.33 111.127 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -105.27 -16.58 15.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.802 -0.713 . . . . 75.13 112.467 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.07 -9.97 43.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.826 0.346 . . . . 73.54 110.911 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t -95.01 -44.13 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 74.55 111.119 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.777 ' HB2' HD12 ' A' ' 16' ' ' LEU . 74.5 m-85 -83.07 1.01 42.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 75.33 110.888 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -120.23 -67.62 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 72.14 110.925 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tt -124.55 74.31 62.22 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.63 0.729 . . . . 60.24 110.904 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 129.3 17.34 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.704 2.269 . . . . 43.43 112.337 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.6 m -93.01 -16.51 24.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 73.25 111.104 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -177.65 -172.91 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 75.21 110.828 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -16.84 61.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.855 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.49 39.08 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.763 -0.732 . . . . 74.54 112.541 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.549 ' O ' HG22 ' A' ' 82' ' ' THR . 2.0 mm-40 -60.65 -55.2 36.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.899 0.381 . . . . 50.34 110.914 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.485 ' O ' HD13 ' A' ' 66' ' ' LEU . 4.2 mmtt -81.0 -19.99 42.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 71.34 110.874 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.7 mtt -75.78 -39.0 57.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 53.4 110.848 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 79' ' ' GLU . 2.3 t -59.19 -20.98 58.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 71.25 111.15 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.617 ' O ' HG23 ' A' ' 87' ' ' VAL . 24.2 mt-10 -78.52 -22.45 47.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 64.35 110.852 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.1 t -73.99 -27.25 60.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 65.15 110.826 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -62.66 -31.64 72.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 63.53 110.914 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.99 -18.0 31.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 62.01 110.884 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 83' ' ' GLU . 90.0 t -76.67 -31.97 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 71.05 111.152 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 18.4 mt -86.01 -33.58 21.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 75.02 110.938 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.453 ' O ' HG22 ' A' ' 92' ' ' THR . 9.5 mmmt -76.06 -36.67 58.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 71.21 110.898 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.6 t -80.92 -20.01 43.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 75.14 110.862 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.566 HD22 ' CG ' ' A' ' 59' ' ' PRO . 2.2 tp -75.44 -48.41 22.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 74.5 110.934 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.453 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.6 t -53.69 -27.55 28.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 54.44 111.124 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -53.24 -35.06 59.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 75.02 110.868 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -83.56 -22.98 32.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 62.14 110.91 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.7 tp -83.08 -22.91 33.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 71.45 110.916 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.432 ' O ' HG23 ' A' ' 99' ' ' VAL . 3.2 mmtm -79.49 -35.3 40.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 72.13 110.905 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -12.24 61.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 74.43 110.907 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.67 -24.58 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 73.33 111.13 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 96' ' ' LYS . 24.0 t -57.81 -20.53 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 73.34 111.157 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -87.23 -16.76 34.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 71.21 110.897 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.803 ' HB3' HD12 ' A' ' 102' ' ' ILE . 0.8 OUTLIER -94.06 -68.53 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 52.23 110.92 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.803 HD12 ' HB3' ' A' ' 101' ' ' LEU . 4.2 mp -135.81 74.25 58.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.684 0.754 . . . . 72.35 111.165 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 164.18 35.46 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.718 2.279 . . . . 73.02 112.369 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.8 t -142.9 -74.52 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 34.2 110.81 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.02 151.85 51.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 53.02 111.175 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.0 t -93.9 -8.07 41.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 65.44 110.888 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.17 -31.29 49.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 63.31 110.861 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.434 ' HB2' ' OE1' ' A' ' 41' ' ' GLN . . . -79.81 -16.98 54.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 32.02 111.133 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.537 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -54.63 -57.6 18.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.612 0.72 . . . . 61.0 111.137 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.4 Cg_endo -69.82 -31.36 20.41 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.63 2.22 . . . . 54.03 112.327 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.07 -60.46 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 73.25 110.93 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 11.5 tt -55.55 -25.64 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 64.55 111.113 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.77 -22.06 65.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 62.33 112.465 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.97 -33.39 26.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 71.11 110.895 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.647 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -73.62 -27.86 61.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 74.21 110.9 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 47.3 mtm -62.49 -53.2 58.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 72.14 110.857 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.1 -25.35 45.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.941 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -52.05 -30.09 24.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 53.13 110.877 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 3.7 m -85.77 -30.15 23.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 73.44 111.185 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -47.54 78.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 71.52 110.869 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -71.76 -16.99 62.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 64.11 110.898 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -67.43 -26.34 66.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 71.55 110.914 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -85.16 -22.74 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 60.13 111.149 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.611 ' O ' HD12 ' A' ' 127' ' ' ILE . 5.3 tp10 -53.8 -27.82 31.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.22 110.898 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -20.03 58.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 61.54 110.869 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 50.7 m -61.4 -35.18 76.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 75.23 110.86 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 124' ' ' GLU . 1.8 mp -81.5 -51.27 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 73.35 111.127 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -30.08 23.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 71.22 110.927 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 23.0 mt -77.26 -43.1 31.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 72.41 111.138 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.539 ' O ' HG12 ' A' ' 133' ' ' VAL . 0.6 OUTLIER -71.41 -22.54 61.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 70.11 111.151 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.02 -18.67 47.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 61.55 110.889 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -83.67 -31.88 25.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 71.14 110.919 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 130' ' ' THR . 0.5 OUTLIER -60.54 -19.52 19.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 51.23 111.115 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.7 pp -58.97 -23.22 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 74.1 111.166 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.66 -32.78 67.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 75.52 110.933 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.75 -43.69 12.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 74.32 111.159 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.86 -29.91 69.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 74.53 110.855 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -76.58 -41.28 46.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 62.43 110.825 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -52.46 -73.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 72.03 110.855 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 63.21 110.87 -179.779 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mtt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.806 0.336 . . . . 72.03 110.925 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.37 17.22 18.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 73.32 111.109 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.66 159.5 21.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 64.2 110.839 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -145.73 178.28 8.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 73.23 110.874 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -159.42 153.24 23.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 74.43 110.862 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -175.78 -170.92 0.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 63.11 110.821 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -84.82 164.16 18.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 70.54 110.874 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.534 ' CB ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -167.33 115.83 0.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 73.44 110.837 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.499 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -169.98 -47.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 63.22 111.127 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 25.4 mmt -80.09 -44.59 19.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 71.03 110.926 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.3 m -90.29 -18.92 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 73.23 111.099 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.654 ' CD1' HG21 ' A' ' 133' ' ' VAL . 0.3 OUTLIER -83.45 -28.44 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.21 111.127 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -37.55 83.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.855 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -68.9 -24.57 64.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 62.54 110.845 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.9 mt -70.59 -25.0 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 64.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.463 HD12 ' O ' ' A' ' 16' ' ' LEU . 10.5 tp -55.67 -36.98 67.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 53.21 110.923 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -65.05 -18.91 65.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 72.35 110.929 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.3 m -77.35 -39.62 46.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 64.23 110.86 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.071 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.04 -27.89 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 64.32 111.103 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.801 ' HA ' HD12 ' A' ' 23' ' ' ILE . 1.9 t80 -80.94 -19.0 45.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 73.54 110.866 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -69.83 -49.28 54.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 72.51 110.855 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -51.47 -45.2 62.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 71.4 110.887 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.801 HD12 ' HA ' ' A' ' 20' ' ' PHE . 14.4 mt -52.73 -37.52 25.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 74.15 111.153 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 66.4 m -81.05 -22.16 39.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 73.3 110.888 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' O ' HG22 ' A' ' 28' ' ' THR . 0.0 OUTLIER -80.13 -59.03 2.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 65.31 110.899 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.442 HG21 ' CE2' ' A' ' 122' ' ' PHE . 1.1 pt -56.35 -24.65 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 61.12 111.167 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.515 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -71.2 -16.04 74.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.715 -0.755 . . . . 55.33 112.486 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -84.31 -25.13 29.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 73.51 111.165 -179.864 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -83.59 -40.67 18.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 61.22 110.881 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -18.02 59.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 74.03 110.89 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 27' ' ' GLY . 58.3 t -59.64 -20.51 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 71.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.74 -56.54 3.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 75.2 110.886 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.601 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -56.04 -23.42 33.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 72.41 111.086 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.72 -40.81 44.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 34.03 112.456 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.492 ' O ' HD13 ' A' ' 39' ' ' LEU . 26.0 mmm-85 -88.77 -21.77 23.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 72.44 110.865 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 mp -78.81 -36.18 43.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 73.24 110.927 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.7 HG13 HD13 ' A' ' 111' ' ' LEU . 1.0 OUTLIER -73.16 -40.13 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 74.14 111.138 179.805 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.88 -45.8 63.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 75.54 110.894 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 35' ' ' ARG . 1.5 mp -51.85 -30.97 25.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 73.42 110.916 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.46 -35.26 54.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 61.1 110.852 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.634 ' NE2' ' HB2' ' A' ' 108' ' ' ALA . 47.8 mm-40 -51.02 103.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 73.13 110.895 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.92 14.17 3.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 72.2 110.873 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.7 -31.94 14.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 62.51 112.498 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -134.42 -105.75 0.88 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 61.12 112.52 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 144.93 116.8 1.08 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.676 -0.773 . . . . 73.04 112.479 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -136.02 -139.43 3.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.729 . . . . 72.03 112.522 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.64 -170.89 0.44 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.733 -0.746 . . . . 35.2 112.49 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.77 -164.98 27.06 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 64.31 112.468 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -9.99 27.5 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 72.02 112.386 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 mt -73.37 -26.1 60.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 75.44 110.948 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -32.74 70.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 74.1 110.92 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.81 -46.6 81.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 63.42 110.905 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 52.4 t -76.97 -28.13 16.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 73.23 111.114 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 t -77.3 -31.36 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 60.51 111.13 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -89.04 -24.86 22.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 75.11 110.909 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.1 t -85.72 -44.81 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 65.24 111.132 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.8 mm -75.4 -22.57 16.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 63.41 111.105 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.494 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.6 -60.51 5.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.667 0.746 . . . . 72.33 110.916 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.635 ' HB3' HD21 ' A' ' 91' ' ' LEU . 54.2 Cg_endo -69.77 -26.66 27.29 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.659 2.239 . . . . 43.24 112.341 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.53 -41.22 76.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 75.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.36 -57.92 8.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 72.43 110.928 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -55.78 -25.51 41.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 73.52 110.9 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.553 ' CD2' HD12 ' A' ' 66' ' ' LEU . 7.2 t80 -83.89 -24.88 30.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 75.21 110.928 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -41.2 76.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 74.24 110.865 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.61 -27.96 68.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.102 -0.499 . . . . 63.35 110.86 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.719 HD13 ' OG ' ' A' ' 84' ' ' SER . 39.0 mt -67.85 -38.69 83.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 73.53 110.947 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.5 p -62.99 -16.25 59.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 72.11 111.133 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.02 -13.5 36.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.765 -0.731 . . . . 54.32 112.512 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.775 HD23 ' HD2' ' A' ' 80' ' ' LYS . 8.8 tp -91.02 -11.91 37.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 62.42 110.931 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.721 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.8 t -95.07 -31.85 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 73.34 111.114 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -96.33 1.07 51.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 71.33 110.892 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -126.85 -47.92 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 71.22 110.872 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.6 tp -117.77 68.26 6.11 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.664 0.745 . . . . 72.23 110.899 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 129.33 17.44 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.653 2.235 . . . . 64.44 112.391 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.8 m -108.9 -14.47 14.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 73.14 111.152 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -178.07 -170.81 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 51.31 110.855 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 59.6 p -63.27 -16.5 60.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 65.0 110.832 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.35 38.59 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 74.32 112.466 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.33 -70.07 0.26 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.895 0.379 . . . . 74.05 110.895 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.775 ' HD2' HD23 ' A' ' 69' ' ' LEU . 9.9 mmtt -56.46 -28.56 59.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 75.14 110.938 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.721 ' HG2' HG21 ' A' ' 70' ' ' VAL . 13.0 mtt -72.09 -61.03 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 62.0 110.91 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 t -61.86 -26.88 68.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 71.34 111.128 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -78.08 -20.31 52.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 53.1 110.873 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.719 ' OG ' HD13 ' A' ' 66' ' ' LEU . 34.5 m -84.27 -27.62 27.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 73.53 110.856 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.514 ' HA ' HD12 ' A' ' 88' ' ' LEU . 2.2 tttt -65.1 -20.01 66.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 52.01 110.879 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.86 -17.93 49.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 73.14 110.851 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.8 t -79.2 -34.39 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 74.04 111.115 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.611 HD11 HG21 ' A' ' 123' ' ' VAL . 4.0 mt -69.42 -18.97 63.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 63.12 110.956 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -84.05 -38.2 21.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 73.03 110.871 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.21 -19.94 27.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 55.42 110.867 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.635 HD21 ' HB3' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -77.58 -43.73 30.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 74.34 110.891 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.9 t -54.15 -26.98 30.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 74.12 111.135 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -55.54 -26.05 41.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 74.41 110.894 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.76 -25.87 32.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 73.14 110.934 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.551 HD13 ' SD ' ' A' ' 116' ' ' MET . 0.2 OUTLIER -83.08 -27.71 30.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 74.3 110.896 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -65.72 -31.07 71.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 75.13 110.891 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -12.61 61.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 70.41 110.88 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.97 -24.23 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 73.42 111.136 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.503 HG22 ' HB3' ' A' ' 103' ' ' PRO . 0.5 OUTLIER -58.12 -20.29 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 72.34 111.079 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -86.9 -16.45 35.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 73.02 110.891 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.769 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -92.58 -66.92 0.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 64.41 110.94 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.769 HD12 ' HB3' ' A' ' 101' ' ' LEU . 4.0 mp -138.73 74.18 39.28 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.712 . . . . 64.13 111.088 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.503 ' HB3' HG22 ' A' ' 99' ' ' VAL . 53.2 Cg_endo -69.77 88.86 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.653 2.236 . . . . 72.55 112.298 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 63.9 p -58.78 -176.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 61.24 110.859 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.9 p -62.42 -171.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 72.31 111.168 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 52.0 m -88.59 7.17 34.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 71.4 110.877 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.624 ' O ' HD12 ' A' ' 111' ' ' LEU . 5.7 m -96.94 -40.68 8.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 71.53 110.862 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.634 ' HB2' ' NE2' ' A' ' 41' ' ' GLN . . . -79.86 -24.42 41.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 61.31 111.101 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.541 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -59.27 -57.53 26.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 71.42 111.117 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.2 Cg_endo -69.79 -19.34 36.13 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.663 2.242 . . . . 74.23 112.312 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.7 HD13 HG13 ' A' ' 37' ' ' ILE . 2.3 mt -78.04 -58.53 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 74.43 110.953 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 7.4 tt -58.73 -24.47 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 75.53 111.082 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.75 -28.88 70.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 42.31 112.427 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -71.13 -44.28 65.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.806 0.336 . . . . 63.41 110.946 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.601 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 24.7 m-85 -76.26 -18.99 58.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 74.25 110.924 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.551 ' SD ' HD13 ' A' ' 95' ' ' LEU . 2.5 mtp -69.76 -43.04 73.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 73.51 110.91 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.0 -25.05 37.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.909 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -52.05 -44.87 64.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 75.42 110.887 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.479 ' O ' HG23 ' A' ' 123' ' ' VAL . 4.6 m -68.84 -24.93 64.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 73.35 111.1 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -81.1 -36.67 30.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 73.43 110.891 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.15 -42.68 68.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 74.5 110.856 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.442 ' CE2' HG21 ' A' ' 26' ' ' ILE . 1.8 t80 -59.19 -21.72 59.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 74.31 110.89 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.611 HG21 HD11 ' A' ' 88' ' ' LEU . 79.5 t -55.85 -25.41 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.484 . . . . 73.25 111.171 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -66.96 -20.04 65.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 74.33 110.867 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.7 t -56.47 -25.09 49.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 74.21 110.874 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.476 ' HA ' HG21 ' A' ' 19' ' ' VAL . 32.4 m -57.06 -56.49 21.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 75.02 110.875 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 27.2 pt -69.4 -25.93 30.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 53.43 111.163 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -68.93 -58.04 4.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 71.24 110.953 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 1.071 HD12 HG23 ' A' ' 19' ' ' VAL . 57.1 mt -61.19 -49.16 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 71.53 111.158 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 126' ' ' SER . 73.9 p -58.05 -22.46 50.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 71.43 111.202 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -18.6 47.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 74.02 110.891 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -82.61 -20.95 35.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.862 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.654 HG21 ' CD1' ' A' ' 12' ' ' ILE . 1.5 p -57.43 -23.34 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 71.1 111.142 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.8 pp -59.75 -23.56 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 75.43 111.138 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -33.55 66.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 73.42 110.907 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.05 -35.08 29.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 75.43 111.141 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -71.97 -17.62 62.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 70.12 110.88 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -88.46 -42.31 12.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 71.42 110.821 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -52.58 -69.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 70.33 110.875 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.831 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.818 0.342 . . . . 63.44 110.845 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.68 100.19 1.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 70.53 111.14 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -99.01 -61.81 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 73.3 110.848 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -134.41 152.0 51.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.85 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -147.56 97.27 2.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 74.24 110.838 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -158.63 37.95 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 74.31 110.832 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -146.31 -170.11 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 71.13 110.871 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.736 ' HB3' HD13 ' A' ' 12' ' ' ILE . 3.4 m80 63.48 105.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 74.02 110.863 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.504 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -172.39 -47.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 74.02 111.112 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.402 ' CE ' ' HB3' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -80.3 -44.58 19.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 75.13 110.845 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.4 m -90.29 -18.96 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 64.3 111.132 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.736 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.43 -28.56 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 70.1 111.139 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -52.23 -30.15 26.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 73.33 110.899 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -74.49 -35.6 63.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 61.5 110.857 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.8 mt -62.0 -25.2 36.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 74.15 111.093 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.441 HD12 ' HB2' ' A' ' 71' ' ' PHE . 2.7 tt -56.83 -31.91 65.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 75.03 110.922 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -66.74 -18.76 65.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 74.13 110.887 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.7 -40.81 47.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 62.43 110.902 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.625 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.14 -27.81 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 74.04 111.093 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.736 ' HA ' HD12 ' A' ' 23' ' ' ILE . 4.0 t80 -80.74 -19.04 45.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 72.2 110.919 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.04 -55.15 15.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 73.21 110.887 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -39.66 70.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 74.32 110.914 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 20' ' ' PHE . 83.5 mt -53.26 -34.55 22.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 64.1 111.114 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.9 m -80.59 -24.7 38.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 72.54 110.878 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -80.27 -58.22 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 71.04 110.924 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.7 tt -52.0 -29.69 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 73.14 111.123 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.63 -39.51 95.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 63.21 112.472 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.4 p -91.28 -26.33 19.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.729 0.3 . . . . 75.25 111.122 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -73.34 -33.94 65.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 74.42 110.86 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -71.04 -18.48 62.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 54.11 110.877 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.3 t -59.8 -20.52 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 51.15 111.117 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -86.75 -55.55 3.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 72.53 110.936 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.596 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -56.1 -22.65 29.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 60.14 111.105 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.49 -40.62 32.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 72.41 112.498 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -88.56 -20.21 25.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 73.32 110.852 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -80.21 -38.36 31.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 73.53 110.93 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mp -73.4 -48.04 43.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 70.23 111.135 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.89 -58.2 9.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 72.35 110.903 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.6 mp -51.32 -36.06 40.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 64.54 110.906 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.47 -38.07 68.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 71.21 110.88 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.663 ' HG3' ' HB2' ' A' ' 108' ' ' ALA . 22.9 mm-40 -84.74 -39.83 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 65.31 110.927 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -179.58 -34.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 72.42 110.903 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.39 -1.72 84.51 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 75.52 112.527 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.1 164.54 54.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 64.31 112.479 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 175.42 -176.42 47.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 70.24 112.486 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -103.21 -71.95 0.9 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 53.11 112.472 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.7 -165.3 0.36 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 72.21 112.495 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.84 -177.79 38.0 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 64.43 112.464 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -10.7 29.17 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.258 . . . . 73.43 112.372 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.517 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -81.23 -22.02 39.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 71.14 110.887 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.442 ' OH ' HD11 ' A' ' 98' ' ' ILE . 6.7 t80 -62.62 -27.27 69.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 73.52 110.929 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -62.89 -52.71 62.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 74.32 110.882 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.549 ' HA ' HG12 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -78.38 -26.7 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 45.35 111.145 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.1 t -71.19 -31.74 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 62.44 111.159 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -89.45 -24.27 21.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 64.13 110.93 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.549 HG12 ' HA ' ' A' ' 53' ' ' VAL . 0.5 OUTLIER -88.08 -27.62 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 61.14 111.179 179.867 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.0 mm -91.87 -25.72 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 74.21 111.13 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.498 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -50.88 -60.34 5.72 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.713 0.768 . . . . 73.34 110.898 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.615 ' HB3' HD21 ' A' ' 91' ' ' LEU . 53.9 Cg_endo -69.76 -34.39 14.66 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.691 2.26 . . . . 71.52 112.371 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.3 m -64.04 -32.68 74.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 64.41 110.9 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.04 -59.08 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 72.21 110.901 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -55.83 -25.31 41.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 72.45 110.889 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.601 ' CG ' HD12 ' A' ' 66' ' ' LEU . 4.5 t80 -83.84 -24.93 30.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.25 110.903 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.84 -40.69 73.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.507 . . . . 75.53 110.843 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -63.35 -27.12 69.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 73.21 110.91 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.638 HD13 ' OG ' ' A' ' 84' ' ' SER . 50.4 mt -66.31 -36.48 83.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 65.22 110.941 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.7 p -62.9 -16.31 58.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 61.12 111.175 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.44 -13.14 39.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 64.22 112.498 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.8 HD23 ' HD2' ' A' ' 80' ' ' LYS . 9.6 tp -91.01 -12.57 35.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 72.11 110.922 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.74 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.03 -31.84 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 55.45 111.139 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.441 ' HB2' HD12 ' A' ' 16' ' ' LEU . 58.1 m-85 -95.86 1.05 52.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 54.53 110.882 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -127.17 -47.63 1.47 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 73.15 110.922 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.2 tp -117.68 68.27 5.92 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.625 0.726 . . . . 75.53 110.916 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 129.34 17.43 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.689 2.259 . . . . 75.33 112.321 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.2 m -107.73 -17.05 14.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 75.41 111.144 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -177.99 -170.86 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 71.12 110.885 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -16.68 60.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 72.04 110.85 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.08 39.05 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 75.31 112.51 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.65 -69.75 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.966 0.413 . . . . 74.21 110.922 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.8 ' HD2' HD23 ' A' ' 69' ' ' LEU . 8.7 mmtt -55.49 -29.83 59.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 64.13 110.936 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.74 ' HG2' HG21 ' A' ' 70' ' ' VAL . 9.2 mtt -73.45 -60.98 1.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.897 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 t -59.76 -25.83 65.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 41.2 111.127 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -81.05 -22.44 39.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 70.21 110.931 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.638 ' OG ' HD13 ' A' ' 66' ' ' LEU . 35.8 m -84.36 -27.88 27.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 73.43 110.835 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.456 ' HA ' HD12 ' A' ' 88' ' ' LEU . 8.3 tttm -62.98 -19.94 64.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 73.32 110.904 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.52 -17.96 49.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.854 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.32 -33.75 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 62.31 111.105 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.654 HD13 ' HB3' ' A' ' 120' ' ' LYS . 5.6 mt -69.98 -32.17 70.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 53.42 110.89 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.27 -32.48 55.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.86 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 m -87.2 -20.01 27.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 44.52 110.821 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -80.28 -46.86 15.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 72.4 110.954 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.4 t -53.4 -27.86 26.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 73.4 111.175 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.3 -31.3 53.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 72.54 110.912 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -83.58 -23.79 31.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 61.53 110.871 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.3 tp -83.07 -27.4 30.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 63.3 110.905 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.474 ' O ' HG23 ' A' ' 99' ' ' VAL . 30.3 mttm -64.88 -30.53 71.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 75.12 110.941 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -12.7 61.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 61.42 110.846 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.442 HD11 ' OH ' ' A' ' 51' ' ' TYR . 0.8 OUTLIER -52.15 -24.68 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 70.43 111.126 179.884 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 96' ' ' LYS . 26.3 t -58.35 -20.51 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 62.35 111.145 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.52 -14.88 39.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 73.32 110.88 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.717 ' HB3' HD12 ' A' ' 102' ' ' ILE . 0.4 OUTLIER -98.36 -69.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 71.22 110.919 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.717 HD12 ' HB3' ' A' ' 101' ' ' LEU . 3.2 mp -133.01 73.74 74.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.654 0.74 . . . . 71.23 111.096 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 100.06 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.689 2.259 . . . . 70.41 112.385 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -74.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 74.5 110.873 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.5 p -144.41 -179.28 6.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 75.22 111.13 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.4 m -106.38 -3.2 21.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 64.02 110.868 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.2 m -105.09 -32.48 8.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 72.14 110.849 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.663 ' HB2' ' HG3' ' A' ' 41' ' ' GLN . . . -80.65 -17.24 51.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 45.21 111.091 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.546 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -51.93 -57.6 14.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.621 0.724 . . . . 74.12 111.114 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.75 -21.24 33.81 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.702 2.268 . . . . 74.41 112.325 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.3 tt -75.7 -58.94 2.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 65.41 110.928 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.8 tt -58.08 -26.72 29.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 72.22 111.1 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -54.22 -31.89 50.2 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 63.42 112.454 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -78.69 -39.2 37.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.795 0.331 . . . . 54.44 110.871 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.596 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 3.7 m-85 -67.81 -54.45 18.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 73.15 110.949 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -36.17 60.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 63.42 110.873 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.7 tt -79.51 -27.84 41.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 75.44 110.906 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -52.12 -43.96 64.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 73.25 110.852 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.4 m -71.58 -32.09 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 54.4 111.154 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.654 ' HB3' HD13 ' A' ' 88' ' ' LEU . 16.2 mttp -73.06 -28.89 62.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 65.12 110.93 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -85.97 -24.54 26.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 74.32 110.896 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -52.06 -31.66 31.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 73.04 110.888 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 120' ' ' LYS . 7.1 p -52.32 -29.54 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 64.41 111.092 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -56.54 -27.35 57.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 74.4 110.877 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.2 m -59.55 -21.78 60.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 51.51 110.903 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.7 t -67.85 -20.88 65.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 52.43 110.836 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 12.8 mt -79.76 -53.22 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 63.23 111.151 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -53.09 -37.09 61.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 73.35 110.907 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.625 HD12 HG23 ' A' ' 19' ' ' VAL . 29.9 mt -65.3 -36.59 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 62.31 111.11 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -22.58 59.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 72.3 111.106 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -60.18 -18.41 47.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 71.23 110.846 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -84.72 -19.91 31.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 70.33 110.841 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.59 -25.63 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 65.13 111.156 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.81 -22.86 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 75.31 111.161 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.0 -24.74 32.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 74.14 110.862 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.07 -44.02 7.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 74.41 111.166 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -61.35 -29.26 69.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 73.14 110.886 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -77.41 -51.81 10.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 55.34 110.85 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -52.07 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 71.04 110.839 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 63.12 110.875 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.9 mtp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.74 0.305 . . . . 65.25 110.874 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.34 165.47 13.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 73.34 111.114 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -170.03 156.57 6.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.425 . . . . 73.3 110.87 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 53.86 62.45 2.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 64.22 110.878 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -145.84 162.56 37.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 74.32 110.853 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -134.02 -73.64 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 74.42 110.832 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -64.79 150.73 46.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.21 110.898 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -128.17 106.11 8.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 72.1 110.891 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.512 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -169.59 -47.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 52.52 111.078 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 22.4 mmt -80.14 -44.56 19.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 62.12 110.878 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.31 -18.93 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 72.41 111.126 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.59 ' CD1' HG21 ' A' ' 133' ' ' VAL . 0.3 OUTLIER -83.43 -28.43 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 74.42 111.135 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -73.99 -24.3 59.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 73.13 110.862 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -76.59 -56.21 4.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 73.31 110.914 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.7 mt -52.78 -28.76 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 60.22 111.167 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.48 -43.31 71.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 71.13 110.877 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -66.17 -18.92 65.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 72.34 110.887 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -76.76 -40.54 48.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 63.32 110.904 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.499 HG21 ' HA ' ' A' ' 126' ' ' SER . 0.4 OUTLIER -88.14 -27.73 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 75.04 111.109 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.484 ' HA ' HD12 ' A' ' 23' ' ' ILE . 3.2 t80 -80.84 -18.94 45.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 61.54 110.855 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.98 -52.5 35.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 74.25 110.857 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -32.5 73.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 74.02 110.879 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 20' ' ' PHE . 24.9 mt -54.5 -33.86 27.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 75.24 111.134 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.02 -21.36 40.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 61.13 110.881 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -85.04 -59.01 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 72.14 110.881 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.2 tp -52.08 -29.58 11.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 72.23 111.104 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.95 -36.77 93.47 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 45.43 112.491 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.02 -21.04 20.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.749 0.309 . . . . 74.43 111.13 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -69.43 -29.55 67.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 60.31 110.893 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.4 p -81.91 -17.95 45.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 72.01 110.861 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.5 t -65.13 -20.47 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 42.51 111.138 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -86.21 -59.27 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 71.33 110.886 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.26 -23.19 46.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 24.34 111.107 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.46 -39.83 41.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 62.51 112.532 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.429 ' O ' HD13 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.62 -26.39 21.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 72.1 110.85 -179.862 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 mp -72.27 -38.23 68.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 70.44 110.908 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.718 ' CG2' HD13 ' A' ' 111' ' ' LEU . 1.3 mp -78.47 -37.69 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 72.42 111.105 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -46.18 86.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 72.22 110.9 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.429 HD13 ' O ' ' A' ' 35' ' ' ARG . 2.4 mp -51.85 -47.51 64.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 73.12 110.938 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.35 -34.7 61.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 64.12 110.84 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.744 ' HG3' ' HB2' ' A' ' 108' ' ' ALA . 18.8 mm-40 -56.25 -36.92 69.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 64.12 110.928 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -179.52 -34.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 72.22 110.902 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.78 -9.21 78.37 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.754 -0.736 . . . . 45.14 112.486 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.6 167.56 13.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.741 -0.742 . . . . 63.32 112.497 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 158.3 162.87 12.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 74.34 112.508 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.77 -101.96 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.743 . . . . 73.32 112.496 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.63 175.05 0.35 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 44.11 112.456 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.15 -178.81 28.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.694 -0.765 . . . . 73.53 112.496 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -10.64 29.03 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.654 2.236 . . . . 64.02 112.361 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.53 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -81.36 -35.0 31.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 70.25 110.948 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -61.23 -36.25 79.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.915 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.432 ' HD2' HG23 ' A' ' 53' ' ' VAL . 5.1 t80 -63.99 -51.96 61.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 72.1 110.888 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.432 HG23 ' HD2' ' A' ' 52' ' ' PHE . 63.5 t -69.1 -32.21 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 74.44 111.126 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.5 t -72.6 -37.28 55.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 74.24 111.143 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -84.28 -24.71 29.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 60.21 110.892 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.6 t -85.2 -45.29 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 64.43 111.13 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 35.5 mm -75.12 -22.53 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 72.21 111.141 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.481 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.5 mt-10 -51.24 -60.56 5.48 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.638 0.733 . . . . 71.22 110.848 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.607 ' HG2' HD22 ' A' ' 91' ' ' LEU . 53.5 Cg_endo -69.81 -32.65 17.96 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.654 2.236 . . . . 64.11 112.384 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 66.0 m -64.2 -31.41 72.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 72.41 110.849 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -53.01 -53.44 50.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 72.53 110.894 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -55.77 -25.56 41.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 62.4 110.93 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.569 ' HD1' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -83.9 -24.97 30.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 70.34 110.878 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.83 -38.96 65.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 51.43 110.894 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.45 -25.83 68.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 63.45 110.846 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.569 HD12 ' HD1' ' A' ' 63' ' ' PHE . 52.1 mt -66.53 -32.45 73.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 72.43 110.863 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.7 m -62.59 -20.6 64.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 74.21 111.152 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.29 -13.77 37.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 51.24 112.501 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.73 HD23 ' HD2' ' A' ' 80' ' ' LYS . 11.6 tp -91.01 -11.07 39.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 53.3 110.941 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.721 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.8 t -95.01 -31.99 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 50.21 111.129 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -95.86 1.06 52.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 72.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -119.58 -61.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 64.22 110.943 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.4 tp -139.88 74.42 32.01 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.583 0.706 . . . . 73.02 110.89 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 129.3 17.34 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.638 2.225 . . . . 71.12 112.37 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.4 m -65.7 -14.33 61.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 72.43 111.13 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -177.9 -171.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 64.21 110.83 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.458 ' O ' ' HE1' ' A' ' 81' ' ' MET . 1.7 p -62.85 -16.84 60.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 75.05 110.881 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.8 29.75 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 44.1 112.452 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -71.22 -43.74 66.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.383 . . . . 73.31 110.857 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.73 ' HD2' HD23 ' A' ' 69' ' ' LEU . 11.9 mmtt -81.03 -22.1 39.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 75.53 110.877 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.721 ' HG2' HG21 ' A' ' 70' ' ' VAL . 8.1 mtt -84.41 -44.77 13.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 75.3 110.87 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.0 t -57.62 -22.97 48.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 44.32 111.176 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.664 ' O ' HG23 ' A' ' 87' ' ' VAL . 79.9 mt-10 -81.18 -19.98 42.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 73.42 110.877 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.9 m -74.98 -26.77 59.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 52.2 110.857 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.4 ttmt -74.59 -22.11 59.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 71.51 110.875 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.6 t -87.03 -17.93 31.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 54.44 110.865 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 83' ' ' GLU . 15.9 t -82.07 -34.36 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 63.22 111.105 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 47.0 mt -86.1 -33.54 20.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 63.32 110.922 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.432 ' O ' HG22 ' A' ' 92' ' ' THR . 0.5 OUTLIER -74.56 -37.65 62.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 72.4 110.9 179.792 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 24.1 t -80.93 -19.95 43.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 74.13 110.829 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.607 HD22 ' HG2' ' A' ' 59' ' ' PRO . 2.2 tp -76.99 -48.66 17.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 63.01 110.917 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.8 t -53.77 -27.49 29.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 72.33 111.161 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.74 -35.94 56.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 70.4 110.936 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.4 mmpm? -83.6 -22.96 32.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 75.12 110.921 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 11.3 tp -82.24 -22.83 35.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 60.43 110.931 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -79.82 -36.22 37.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 74.14 110.877 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -12.48 61.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 62.32 110.876 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.89 -24.62 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 71.2 111.132 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.413 HG22 ' HB3' ' A' ' 103' ' ' PRO . 0.8 OUTLIER -57.65 -20.72 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 63.35 111.098 179.86 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -87.27 -18.85 29.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 71.31 110.856 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.809 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -88.35 -68.36 0.77 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.916 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.809 HD12 ' HB3' ' A' ' 101' ' ' LEU . 4.3 mp -139.48 74.2 34.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.73 . . . . 60.33 111.124 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.413 ' HB3' HG22 ' A' ' 99' ' ' VAL . 54.2 Cg_endo -69.73 82.65 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.272 . . . . 73.12 112.395 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 59.0 m -52.06 -68.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 60.2 110.834 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.488 HG21 ' HB3' ' A' ' 41' ' ' GLN . 4.1 p -142.56 131.37 22.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 61.2 111.148 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.9 t -79.58 -5.82 55.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 62.44 110.832 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.48 -31.71 53.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 75.31 110.83 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.744 ' HB2' ' HG3' ' A' ' 41' ' ' GLN . . . -80.84 -17.0 52.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 72.41 111.128 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.545 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -52.22 -57.57 14.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.633 0.73 . . . . 72.33 111.07 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.7 Cg_endo -69.73 -23.32 31.08 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.724 2.283 . . . . 65.04 112.341 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.718 HD13 ' CG2' ' A' ' 37' ' ' ILE . 0.7 OUTLIER -73.59 -58.08 3.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 64.12 110.918 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -56.4 -24.95 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 74.52 111.149 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -52.92 -31.91 40.44 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 44.53 112.511 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -83.75 -33.01 25.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.766 0.317 . . . . 71.32 110.9 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -73.78 -29.57 62.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 73.52 110.916 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.05 -54.07 25.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 71.25 110.898 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -25.96 59.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 61.21 110.94 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -53.33 -39.21 63.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 62.44 110.843 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 20.3 m -71.63 -44.91 63.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 43.32 111.139 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -66.02 -24.81 66.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 63.24 110.887 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -75.85 -31.1 59.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.928 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -51.21 26.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 72.22 110.902 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 6.9 p -58.11 -23.02 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 64.54 111.159 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.503 ' HG2' HD11 ' A' ' 127' ' ' ILE . 0.0 OUTLIER -65.65 -20.03 66.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.911 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.3 -47.62 19.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 70.44 110.862 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.499 ' HA ' HG21 ' A' ' 19' ' ' VAL . 43.1 p -57.77 -35.96 71.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 62.41 110.901 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.503 HD11 ' HG2' ' A' ' 124' ' ' GLU . 37.8 pt -79.02 -24.23 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 55.24 111.136 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -82.53 -29.11 30.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.92 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 63.4 mt -65.25 -35.21 74.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 73.3 111.154 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.83 -22.51 66.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 62.12 111.147 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.16 -18.42 47.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 74.13 110.899 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -85.51 -19.69 30.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.86 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.59 HG21 ' CD1' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.75 -26.77 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 74.55 111.126 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -30.83 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 74.02 111.121 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -21.52 59.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 71.34 110.877 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -44.03 33.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 73.21 111.119 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -76.09 -8.97 58.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 62.33 110.885 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -104.86 -24.79 12.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 71.15 110.841 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.868 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.86 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.775 0.321 . . . . 73.24 110.823 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.1 -174.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 41.21 111.095 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 63.25 165.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 54.23 110.889 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -178.52 125.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 75.34 110.878 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -178.63 176.27 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.856 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -76.76 114.24 15.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 75.22 110.858 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.18 -169.8 0.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 64.04 110.846 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.714 ' HB3' HD13 ' A' ' 12' ' ' ILE . 5.6 m-70 63.53 105.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 75.05 110.851 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.507 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -172.36 -47.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 63.01 111.092 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.26 -44.58 19.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 61.31 110.849 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 t -90.29 -19.04 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 55.04 111.108 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.739 HD12 HG21 ' A' ' 133' ' ' VAL . 0.4 OUTLIER -83.38 -28.53 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 73.25 111.085 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -73.23 -19.62 61.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 71.31 110.847 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -83.98 -19.99 33.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.913 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.8 mm -75.82 -25.05 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 62.11 111.143 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.7 tp -53.85 -45.18 70.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 64.55 110.922 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -65.83 -18.92 65.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 75.41 110.87 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.5 t -76.83 -40.33 48.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 52.42 110.889 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.854 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.09 -27.81 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.15 111.097 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.753 ' HA ' HD12 ' A' ' 23' ' ' ILE . 2.8 t80 -80.83 -19.01 45.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 72.21 110.889 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -68.29 -56.43 8.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 74.13 110.865 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -51.52 -41.26 60.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 63.2 110.878 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.753 HD12 ' HA ' ' A' ' 20' ' ' PHE . 66.4 mt -54.23 -34.81 28.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 72.11 111.136 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.03 -21.06 40.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 64.45 110.837 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.36 -59.01 2.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 62.31 110.903 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 tp -52.1 -29.53 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 72.23 111.173 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.75 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -61.55 -48.3 85.5 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 63.12 112.496 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.05 -29.52 21.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.798 0.332 . . . . 65.11 111.165 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -71.22 -37.64 72.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 73.32 110.919 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -82.03 -28.56 32.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 74.04 110.822 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 27' ' ' GLY . 60.5 t -59.57 -20.7 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 50.31 111.116 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -87.64 -52.84 5.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 73.24 110.876 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.48 -24.07 29.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 64.4 111.082 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.24 -41.79 68.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.779 -0.724 . . . . 63.34 112.507 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.581 ' O ' HD22 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -89.68 -20.35 23.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.37 . . . . 73.12 110.846 -179.811 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mp -78.88 -35.79 43.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 62.25 110.923 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.797 HG13 HD13 ' A' ' 111' ' ' LEU . 1.2 mp -76.89 -52.23 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 62.34 111.168 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -54.56 -51.97 63.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 63.41 110.872 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.581 HD22 ' O ' ' A' ' 35' ' ' ARG . 2.4 mp -51.02 -35.67 35.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 51.34 110.921 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 m -82.02 -28.93 32.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 63.05 110.909 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.626 ' CD ' ' HB2' ' A' ' 108' ' ' ALA . 3.5 mm-40 -63.51 94.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 74.2 110.895 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -141.47 12.75 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 72.55 110.889 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.04 -27.96 47.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 73.14 112.485 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -131.73 -36.47 0.32 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 54.42 112.462 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.72 147.23 10.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 51.15 112.443 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -173.5 178.06 45.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.683 -0.77 . . . . 73.45 112.429 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.24 -171.99 0.45 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 75.12 112.478 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -92.02 179.97 41.29 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.685 -0.769 . . . . 63.32 112.445 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -10.93 29.71 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.667 2.245 . . . . 60.22 112.349 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.531 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -79.34 -28.18 42.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 62.41 110.883 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -30.47 68.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 74.41 110.911 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -65.09 -47.83 75.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 74.24 110.871 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -26.44 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 74.51 111.109 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 t -78.54 -31.74 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 75.14 111.138 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -89.18 -24.66 22.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 75.11 110.905 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.0 t -85.61 -45.33 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 71.13 111.14 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 36.4 mm -75.11 -22.39 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 74.41 111.144 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.485 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.6 mt-10 -51.68 -60.56 5.7 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.633 0.73 . . . . 71.4 110.914 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.8 Cg_endo -69.76 -26.59 27.43 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.688 2.259 . . . . 73.0 112.357 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -32.79 74.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 62.43 110.884 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.81 -58.46 7.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 64.14 110.9 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -55.73 -25.57 41.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 73.3 110.905 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.541 ' CE2' HD21 ' A' ' 88' ' ' LEU . 2.6 t80 -84.09 -24.85 30.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 70.13 110.889 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -41.58 80.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 55.22 110.835 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -64.83 -27.45 68.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 63.54 110.889 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.753 HD13 ' OG ' ' A' ' 84' ' ' SER . 45.6 mt -67.22 -37.95 84.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 65.44 110.876 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.7 p -62.84 -16.39 58.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 72.35 111.143 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.85 -13.38 37.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 73.33 112.487 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.784 HD23 ' HD2' ' A' ' 80' ' ' LYS . 9.4 tp -91.01 -10.6 41.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.906 0.384 . . . . 71.23 110.958 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.737 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.08 -31.71 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 63.34 111.103 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -97.11 1.09 49.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 71.51 110.847 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -124.03 -56.61 1.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 53.41 110.922 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 68.3 mt -113.95 72.71 2.2 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.593 0.711 . . . . 64.4 110.954 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 129.05 16.97 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.753 2.302 . . . . 72.23 112.357 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 47.5 m -102.68 -17.15 15.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 51.41 111.149 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -178.01 -170.8 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 65.42 110.861 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -16.69 60.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 71.35 110.85 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.94 39.14 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 71.42 112.428 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.04 -69.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.921 0.391 . . . . 73.51 110.914 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.784 ' HD2' HD23 ' A' ' 69' ' ' LEU . 9.0 mmtt -54.72 -27.92 44.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 72.13 110.915 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.737 ' HG2' HG21 ' A' ' 70' ' ' VAL . 10.2 mtt -76.47 -61.05 2.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 75.24 110.877 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -58.89 -25.99 63.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 42.32 111.15 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -76.68 -28.05 55.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 71.4 110.941 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.753 ' OG ' HD13 ' A' ' 66' ' ' LEU . 51.3 m -84.99 -26.07 27.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 75.11 110.848 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -64.49 -32.2 73.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 55.3 110.967 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -17.97 65.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.871 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.0 t -87.02 -23.02 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 75.21 111.076 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.567 HD11 HG21 ' A' ' 123' ' ' VAL . 35.9 mt -68.7 -36.21 78.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.884 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.507 ' O ' HG22 ' A' ' 92' ' ' THR . 0.1 OUTLIER -79.42 -34.22 41.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 65.33 110.915 179.83 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -81.19 -19.92 42.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 75.51 110.855 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.517 HD12 ' O ' ' A' ' 91' ' ' LEU . 2.1 tp -70.84 -45.95 63.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 65.14 110.908 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.507 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.8 t -53.79 -27.24 27.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 74.42 111.132 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.86 -32.04 60.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 72.1 110.864 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -22.98 32.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 63.45 110.927 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.46 -36.61 26.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.912 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.45 ' O ' HG23 ' A' ' 99' ' ' VAL . 19.7 mttm -65.35 -29.92 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 74.03 110.934 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -12.64 61.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 62.14 110.925 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.89 -24.79 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 74.32 111.107 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 96' ' ' LYS . 25.9 t -57.6 -20.98 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 71.12 111.175 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -87.45 -18.59 29.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 64.05 110.877 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.727 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.2 mp -89.14 -69.6 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 72.14 110.93 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.727 HD12 ' HB3' ' A' ' 101' ' ' LEU . 3.2 mp -137.71 73.9 46.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.584 0.707 . . . . 64.2 111.171 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 78.52 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.731 2.288 . . . . 71.11 112.331 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.499 ' O ' HG23 ' A' ' 105' ' ' THR . 71.0 m -53.88 -74.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 45.24 110.851 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 104' ' ' SER . 1.0 OUTLIER -159.34 175.94 12.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 72.44 111.163 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 t -91.79 7.33 42.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 63.55 110.867 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.6 t -79.72 -42.1 25.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 72.5 110.845 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.742 ' HA ' HD12 ' A' ' 111' ' ' LEU . . . -80.06 -17.03 53.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 73.13 111.125 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.527 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -52.61 -57.55 15.36 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.581 0.705 . . . . 63.11 111.106 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.7 Cg_endo -69.76 -34.48 14.5 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.695 2.263 . . . . 72.0 112.363 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.797 HD13 HG13 ' A' ' 37' ' ' ILE . 28.5 mt -63.34 -55.34 25.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 71.41 110.887 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.407 HG22 ' O ' ' A' ' 108' ' ' ALA . 14.9 tt -68.5 -24.7 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 63.13 111.112 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -69.58 -33.7 72.28 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.759 . . . . 33.25 112.531 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -65.35 -33.34 75.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 53.45 110.904 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -85.09 -18.96 32.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 71.44 110.876 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.17 -52.74 37.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 74.54 110.887 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -24.97 55.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 75.11 110.93 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.05 -31.4 29.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 61.0 110.893 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.57 ' O ' HG23 ' A' ' 123' ' ' VAL . 24.9 p -86.39 -28.17 23.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 52.15 111.137 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -69.09 -37.67 78.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.91 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -74.82 -31.68 61.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 75.34 110.874 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.26 -24.77 64.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 74.51 110.883 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 119' ' ' THR . 64.6 t -56.31 -28.39 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 73.41 111.141 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.52 ' HG3' HD11 ' A' ' 127' ' ' ILE . 0.3 OUTLIER -64.36 -20.23 65.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.937 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 67.9 m -57.59 -23.83 52.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 74.43 110.813 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 130' ' ' THR . 1.4 m -64.08 -53.05 55.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 72.45 110.858 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.52 HD11 ' HG3' ' A' ' 124' ' ' GLU . 27.8 pt -72.1 -25.75 24.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 74.32 111.09 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -70.68 -55.26 9.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 70.03 110.908 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.854 HD12 HG23 ' A' ' 19' ' ' VAL . 20.8 mt -62.4 -47.43 93.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 71.41 111.155 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.479 ' O ' HG12 ' A' ' 133' ' ' VAL . 66.8 p -61.6 -22.57 65.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 75.14 111.113 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.04 -18.61 47.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 72.45 110.909 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -83.94 -24.16 30.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 73.42 110.916 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.739 HG21 HD12 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -60.0 -20.26 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 73.42 111.083 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 2.2 pp -53.84 -28.01 16.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 54.43 111.164 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -52.09 -34.38 43.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 75.02 110.881 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.7 -42.18 8.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 63.42 111.109 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -60.38 -20.24 58.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 74.32 110.851 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -83.64 -53.08 5.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 63.53 110.881 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -52.46 -66.92 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 75.53 110.835 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 74.11 110.822 -179.764 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.78 0.324 . . . . 71.01 110.894 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.69 72.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 74.32 111.104 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -133.04 134.02 43.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 72.12 110.885 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -150.37 79.79 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 63.11 110.834 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -147.97 177.31 9.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 73.23 110.88 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -117.84 -48.43 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 75.14 110.867 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.76 -178.72 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 71.25 110.881 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.705 ' HB3' HD13 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -113.94 107.12 15.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 72.41 110.869 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.517 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -169.07 -47.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 71.04 111.062 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.4 mmt -80.14 -44.49 19.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 65.13 110.864 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.0 t -90.3 -18.96 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 73.12 111.138 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.705 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.3 OUTLIER -83.45 -28.44 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 62.23 111.156 179.882 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -81.16 -21.78 39.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 72.15 110.847 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.04 -49.32 10.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 55.43 110.884 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.7 mt -56.11 -24.99 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 72.44 111.116 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 tt -52.6 -49.48 64.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 74.52 110.916 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt -66.14 -18.83 65.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 74.24 110.887 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -40.3 47.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 63.52 110.913 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.57 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.09 -27.79 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 73.31 111.175 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.789 ' HA ' HD12 ' A' ' 23' ' ' ILE . 3.0 t80 -80.82 -19.0 45.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.923 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -68.19 -53.78 22.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 75.41 110.894 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -38.18 84.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 71.53 110.905 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.789 HD12 ' HA ' ' A' ' 20' ' ' PHE . 58.4 mt -52.15 -35.08 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 75.23 111.124 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -81.02 -26.98 36.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 74.2 110.915 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -76.99 -57.76 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 73.41 110.937 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.702 HG13 HG22 ' A' ' 119' ' ' THR . 10.2 tp -51.75 -29.96 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 73.52 111.135 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.2 -35.35 88.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 63.22 112.493 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.99 -20.94 20.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.32 . . . . 73.34 111.193 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.99 -41.04 68.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 71.41 110.867 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.2 m -66.95 -18.02 65.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 62.4 110.868 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.0 t -70.32 -20.56 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 43.23 111.123 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -86.16 -59.31 2.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 63.22 110.855 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.457 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -56.17 -21.76 24.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 63.02 111.112 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.6 -37.8 26.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.797 -0.716 . . . . 70.24 112.471 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.54 -25.1 22.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.813 0.339 . . . . 63.35 110.889 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 mp -76.03 -40.11 54.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 54.1 110.877 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.455 HG12 HD22 ' A' ' 111' ' ' LEU . 1.3 mp -72.03 -48.66 48.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 70.43 111.119 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -53.84 -60.49 3.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 74.2 110.878 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.483 HD12 ' CA ' ' A' ' 43' ' ' GLY . 5.9 mp -50.78 -36.11 35.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 75.14 110.927 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -55.7 -35.8 66.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 53.13 110.832 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -90.58 -39.07 12.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 64.13 110.919 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -177.77 -35.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 63.22 110.873 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.483 ' CA ' HD12 ' A' ' 39' ' ' LEU . . . 94.61 -26.96 15.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 61.14 112.488 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.05 -105.36 1.81 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 63.41 112.504 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.508 ' O ' HG21 ' A' ' 102' ' ' ILE . . . 151.64 -150.23 22.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 71.32 112.511 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.85 -137.03 24.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 53.32 112.474 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.17 167.91 0.8 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.721 -0.752 . . . . 74.4 112.482 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -96.13 -178.78 35.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.742 . . . . 72.24 112.49 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -10.73 29.29 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.666 2.244 . . . . 72.24 112.332 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.529 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -81.11 -33.89 32.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 72.3 110.899 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -65.75 -41.25 92.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 72.44 110.916 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.84 -30.52 71.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 74.5 110.894 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.548 ' HA ' HG12 ' A' ' 56' ' ' VAL . 48.5 t -88.71 -27.97 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 73.11 111.131 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 50' ' ' LEU . 44.1 t -80.88 -28.43 11.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 72.34 111.155 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.8 -24.68 22.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 72.01 110.875 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 53' ' ' VAL . 4.8 p -88.87 -28.12 5.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 72.14 111.154 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.5 mm -91.26 -25.91 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 74.14 111.119 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.494 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.7 mt-10 -51.3 -60.19 6.26 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.613 0.72 . . . . 75.32 110.902 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.9 Cg_endo -69.71 -33.96 15.71 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.698 2.265 . . . . 65.03 112.356 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.1 m -63.49 -32.23 73.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 75.1 110.927 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -51.99 -52.53 49.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.887 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.02 -25.22 43.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 70.51 110.908 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.31 -24.93 34.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 74.12 110.886 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.27 -39.02 78.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 64.32 110.862 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -57.12 -27.26 61.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.922 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.584 HD12 ' CB ' ' A' ' 84' ' ' SER . 5.5 mt -67.53 -32.91 74.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 74.1 110.926 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.0 m -62.41 -21.96 65.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 73.33 111.16 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.06 -11.24 55.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.693 -0.765 . . . . 74.55 112.493 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.803 HD23 ' HD2' ' A' ' 80' ' ' LYS . 13.5 tp -90.98 -12.47 35.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 72.44 110.941 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.715 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.5 t -94.85 -32.05 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 75.23 111.136 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -86.27 1.14 52.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 55.01 110.892 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.735 ' O ' HD22 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -118.97 -71.24 0.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 70.44 110.911 -179.827 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.735 HD22 ' O ' ' A' ' 72' ' ' TYR . 3.6 mm? -135.3 75.46 58.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 63.43 110.932 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 134.34 27.73 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.675 2.25 . . . . 71.22 112.351 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.0 m -61.7 -17.4 55.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 64.04 111.123 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -177.6 -172.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 61.42 110.845 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.483 ' O ' ' HE1' ' A' ' 81' ' ' MET . 14.8 t -62.09 -17.55 57.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 50.11 110.857 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -172.36 39.1 0.16 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.749 . . . . 53.32 112.507 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -86.15 -41.17 14.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 70.5 110.846 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.803 ' HD2' HD23 ' A' ' 69' ' ' LEU . 1.4 mmtt -81.07 -28.75 35.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 71.13 110.91 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.715 ' HG2' HG21 ' A' ' 70' ' ' VAL . 7.5 mtt -76.89 -48.45 18.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 71.24 110.891 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.6 t -54.64 -30.88 56.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 52.3 111.134 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 87' ' ' VAL . 3.1 mm-40 -86.64 -19.98 28.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 71.35 110.874 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.584 ' CB ' HD12 ' A' ' 66' ' ' LEU . 7.2 p -83.9 -26.3 29.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 63.34 110.913 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.09 -34.22 24.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 74.11 110.906 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.9 t -62.16 -18.03 59.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 75.15 110.864 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 83' ' ' GLU . 4.5 t -84.13 -22.98 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 73.42 111.153 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.505 ' CD1' HG21 ' A' ' 123' ' ' VAL . 56.4 mt -81.37 -35.66 30.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 64.12 110.906 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.5 ' O ' HG22 ' A' ' 92' ' ' THR . 2.2 mmmm -79.62 -34.09 40.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 74.43 110.941 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.1 p -81.07 -19.93 42.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 55.24 110.848 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 91' ' ' LEU . 2.0 tp -70.8 -45.93 63.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 73.01 110.908 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.8 t -53.75 -27.26 27.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 74.21 111.129 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.14 -31.13 61.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 65.33 110.859 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.58 -23.33 32.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 52.11 110.871 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -83.02 -22.98 33.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 71.21 110.96 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -67.34 -32.52 73.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 73.1 110.897 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -12.61 61.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 72.42 110.926 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -52.01 -24.55 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 73.42 111.112 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.412 HG22 ' HB3' ' A' ' 103' ' ' PRO . 0.6 OUTLIER -57.62 -20.75 14.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 74.42 111.177 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -87.26 -18.95 29.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 72.13 110.885 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.775 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -89.27 -68.63 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 65.0 110.88 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.775 HD12 ' HB3' ' A' ' 101' ' ' LEU . 3.9 mp -138.58 74.01 40.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.604 0.716 . . . . 73.41 111.168 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.412 ' HB3' HG22 ' A' ' 99' ' ' VAL . 54.3 Cg_endo -69.7 176.78 6.28 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 71.5 112.394 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.7 p -151.5 -170.01 3.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 74.45 110.867 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 32.3 p -51.74 160.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 72.02 111.171 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.77 6.68 40.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 42.15 110.854 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 67.7 m -82.85 -46.23 13.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 14.53 110.891 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.437 ' HB1' HG22 ' A' ' 37' ' ' ILE . . . -85.02 -17.01 38.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 73.53 111.085 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.533 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -51.74 -57.54 14.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 72.2 111.084 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.0 Cg_endo -69.78 -13.25 34.37 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.7 2.267 . . . . 62.24 112.336 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.455 HD22 HG12 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -83.51 -58.04 2.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.919 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 7.3 tt -56.17 -24.89 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 70.22 111.136 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -69.87 -21.34 76.64 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.717 -0.754 . . . . 75.24 112.504 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -86.76 -49.92 7.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 64.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.457 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 28.5 m-85 -53.24 -36.96 61.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 64.44 110.9 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 33.9 mtm -59.46 -43.47 93.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 75.33 110.9 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.05 -27.01 67.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 64.12 110.9 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -52.36 -36.83 54.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 70.34 110.914 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.702 HG22 HG13 ' A' ' 26' ' ' ILE . 70.1 p -76.69 -49.55 15.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 73.0 111.087 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -58.48 -22.47 55.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 62.35 110.91 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.43 -35.72 21.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 71.3 110.891 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -65.92 -24.42 66.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 63.42 110.858 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.505 HG21 ' CD1' ' A' ' 88' ' ' LEU . 96.3 t -58.11 -24.18 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 61.22 111.133 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -62.26 -20.05 63.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.903 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 36.4 m -58.04 -23.68 55.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.876 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.0 m -68.18 -56.35 9.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 60.53 110.816 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 34.0 pt -66.21 -26.66 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 53.34 111.151 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 27.9 tttt -78.76 -29.9 45.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 71.13 110.955 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.57 HD12 HG23 ' A' ' 19' ' ' VAL . 32.5 mt -83.69 -47.05 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 61.11 111.136 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.498 ' O ' HG12 ' A' ' 133' ' ' VAL . 21.5 p -67.82 -22.52 65.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 71.52 111.123 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -18.67 47.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 72.12 110.916 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -82.0 -21.2 37.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 75.23 110.936 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.498 HG12 ' O ' ' A' ' 130' ' ' THR . 0.6 OUTLIER -69.76 -21.08 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 63.51 111.117 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.5 pp -63.92 -22.99 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 61.11 111.104 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -51.92 -35.42 45.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 75.55 110.896 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.98 -22.39 17.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.105 -0.498 . . . . 54.4 111.12 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -78.5 -3.61 44.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 70.23 110.871 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.12 -18.25 10.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 44.14 110.839 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.15 -37.86 6.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 75.31 110.896 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.852 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.787 0.327 . . . . 54.34 110.904 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.41 157.36 14.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 72.23 111.148 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -96.19 -66.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 72.25 110.823 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -174.76 171.9 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 73.31 110.879 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -159.07 -66.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 65.4 110.881 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -104.83 147.17 28.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 73.13 110.881 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.01 150.28 27.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 60.44 110.867 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.619 ' HB3' HD13 ' A' ' 12' ' ' ILE . 5.8 m-70 -127.93 111.0 13.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 74.13 110.864 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.51 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -168.35 -47.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 60.51 111.075 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.5 mmt -80.17 -44.57 19.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 70.25 110.842 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.27 -18.9 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 55.34 111.156 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.619 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.45 -28.55 7.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 75.33 111.092 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -75.14 -19.78 59.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.881 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -73.7 -31.55 63.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.865 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.4 mm -74.3 -25.17 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 74.01 111.161 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.84 -42.91 72.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.894 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -66.7 -18.84 65.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 64.51 110.907 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -76.8 -40.67 47.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 73.14 110.922 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.574 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.1 -27.85 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 55.01 111.118 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.64 ' HA ' HD12 ' A' ' 23' ' ' ILE . 3.8 t80 -80.82 -18.9 45.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 74.2 110.922 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -67.27 -50.19 61.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 65.33 110.874 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -33.72 75.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 72.4 110.917 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.64 HD12 ' HA ' ' A' ' 20' ' ' PHE . 19.7 mt -53.53 -35.14 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 64.42 111.158 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.99 -22.9 39.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 71.2 110.916 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -81.66 -58.39 3.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 45.13 110.919 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -55.61 -25.53 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 72.22 111.177 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.78 -34.37 89.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 54.15 112.452 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.1 p -91.93 -21.03 20.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 73.01 111.175 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.43 -28.22 66.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 75.3 110.905 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.2 m -81.84 -17.99 45.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 72.04 110.863 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.6 t -69.62 -20.46 23.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 75.25 111.142 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -86.22 -59.16 2.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 64.15 110.888 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.571 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -56.88 -22.42 37.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 52.41 111.088 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.09 -39.4 27.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 75.04 112.44 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.405 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.23 -23.9 23.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 75.23 110.839 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -76.15 -39.41 55.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 73.1 110.886 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.36 -40.61 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 64.43 111.104 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -63.1 -59.14 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 72.53 110.918 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.8 mm? -50.55 -35.94 32.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 72.21 110.903 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.79 -37.8 77.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 51.4 110.844 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -84.91 -38.97 18.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 74.1 110.926 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -179.43 -34.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 64.41 110.876 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.26 -27.95 14.97 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.73 -0.748 . . . . 73.12 112.482 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.02 -169.62 50.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 53.11 112.483 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.67 -142.69 4.41 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 62.1 112.507 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 54.32 -137.0 42.4 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.739 -0.743 . . . . 73.31 112.441 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.48 178.69 0.4 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 64.14 112.493 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.64 -178.53 28.3 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 73.43 112.532 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -10.74 29.29 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.7 2.267 . . . . 75.55 112.335 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.514 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -81.25 -21.97 39.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 64.24 110.88 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -80.08 -31.98 39.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 61.55 110.946 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -30.57 71.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 64.14 110.879 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.554 ' HA ' HG12 ' A' ' 56' ' ' VAL . 48.2 t -88.83 -27.95 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 72.31 111.096 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 50' ' ' LEU . 44.4 t -80.86 -28.45 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 62.02 111.109 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.64 ' OD1' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -88.83 -24.55 22.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 73.03 110.874 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.554 HG12 ' HA ' ' A' ' 53' ' ' VAL . 4.8 p -89.12 -27.98 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 71.53 111.109 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 15.4 mm -91.28 -26.04 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 32.23 111.084 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.494 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -51.38 -60.3 6.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.658 0.742 . . . . 55.11 110.875 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.7 Cg_endo -69.75 -33.35 16.79 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.689 2.259 . . . . 75.3 112.324 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.9 m -63.65 -30.97 72.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 74.02 110.842 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -52.98 -50.44 64.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 52.51 110.919 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.12 -25.74 47.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 74.25 110.866 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.1 -24.87 37.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 73.02 110.903 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.2 m -52.86 -34.37 54.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 53.05 110.82 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.69 -26.24 43.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 73.51 110.91 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 84' ' ' SER . 9.1 mt -70.24 -35.44 73.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 75.44 110.903 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.0 m -62.73 -20.68 65.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 74.13 111.149 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.51 -13.4 41.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.726 . . . . 32.12 112.484 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.759 HD23 ' HD2' ' A' ' 80' ' ' LYS . 11.1 tp -91.04 -9.67 44.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.902 0.382 . . . . 74.1 110.966 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.432 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.0 -31.9 4.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 65.43 111.17 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -97.01 1.14 49.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 75.13 110.919 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -119.24 -60.86 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 74.45 110.922 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.8 mt -140.11 74.57 30.45 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.617 0.722 . . . . 75.44 110.885 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 129.48 17.66 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.667 2.245 . . . . 74.44 112.312 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.3 m -58.24 -21.96 50.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 73.42 111.14 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -176.81 -171.63 0.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 71.43 110.873 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -16.94 59.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.857 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.9 29.0 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 64.41 112.518 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -82.6 -47.39 12.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 64.2 110.906 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.759 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -77.07 -34.67 57.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.35 110.908 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.432 ' HG2' HG21 ' A' ' 70' ' ' VAL . 16.4 mtt -68.07 -55.57 12.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 64.31 110.892 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 t -53.65 -27.55 27.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 75.35 111.148 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.534 ' O ' HG23 ' A' ' 87' ' ' VAL . 49.0 mm-40 -80.77 -30.53 36.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 72.55 110.911 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.44 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.7 OUTLIER -85.01 -21.02 29.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 60.13 110.848 -179.79 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -77.67 -52.97 8.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 70.12 110.908 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.8 t -62.13 -17.99 59.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 52.32 110.857 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 83' ' ' GLU . 3.4 t -73.63 -31.85 33.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 65.12 111.139 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.597 HD13 HG21 ' A' ' 123' ' ' VAL . 6.2 mt -70.3 -33.23 71.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 74.5 110.911 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.96 -28.16 27.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 72.01 110.926 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.3 m -87.25 -19.95 27.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 41.11 110.876 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.36 -44.25 62.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 71.22 110.923 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.5 t -54.28 -26.76 30.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 70.11 111.135 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -27.19 36.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 74.45 110.903 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.49 -29.76 52.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 64.11 110.914 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.64 HD13 ' OD1' ' A' ' 55' ' ' ASN . 8.4 tp -83.16 -28.34 29.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 65.22 110.878 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -65.17 -30.78 71.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 64.22 110.857 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -12.7 61.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 73.42 110.865 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -52.1 -24.7 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 60.42 111.126 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 56.9 t -58.21 -20.46 15.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 74.44 111.171 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -88.11 -16.0 34.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 70.33 110.876 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.603 ' HB3' HD12 ' A' ' 102' ' ' ILE . 0.6 OUTLIER -100.4 -70.96 0.72 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 73.03 110.935 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.603 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.7 mp -128.85 73.76 81.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.602 0.715 . . . . 63.32 111.119 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 113.44 3.37 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 64.15 112.336 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.0 m -75.08 -70.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 62.31 110.897 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.2 p -138.42 179.73 6.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 55.11 111.125 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.8 m -121.97 0.5 9.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.833 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.65 -37.34 7.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 71.23 110.869 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.23 -17.48 52.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 62.42 111.156 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.543 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -52.67 -57.58 15.3 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.64 0.734 . . . . 60.21 111.148 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.5 Cg_endo -69.76 -13.59 34.89 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 62.44 112.352 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.46 -53.49 6.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 73.41 110.948 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 8.4 tt -71.88 -24.62 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 72.52 111.13 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -55.76 -23.81 38.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.723 . . . . 63.03 112.462 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -84.59 -40.77 17.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.777 0.322 . . . . 74.33 110.94 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.571 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 2.7 m-85 -61.75 -39.57 92.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 74.13 110.933 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 11.3 mtp -59.2 -35.29 73.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 63.52 110.897 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.9 tt -71.94 -25.39 61.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 71.44 110.918 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -52.12 -35.58 48.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 74.34 110.86 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 22.9 m -75.58 -39.59 57.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 71.42 111.105 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.45 -32.26 73.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 75.21 110.894 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.63 -41.1 76.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 74.55 110.882 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -61.26 -22.77 65.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 73.53 110.845 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.597 HG21 HD13 ' A' ' 88' ' ' LEU . 89.5 t -57.86 -23.53 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 65.43 111.157 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -59.62 -22.62 62.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 61.2 110.845 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 39.7 m -57.33 -24.38 54.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 53.33 110.897 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.28 -54.91 38.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 71.22 110.873 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 38.7 pt -70.53 -26.26 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 71.55 111.125 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -72.24 -27.88 62.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 74.54 110.916 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.574 HD12 HG23 ' A' ' 19' ' ' VAL . 30.3 mt -84.95 -33.7 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 73.13 111.142 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 40.0 p -63.46 -22.51 66.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 75.41 111.167 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -60.16 -18.5 48.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 73.41 110.848 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -85.54 -19.65 30.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 62.44 110.87 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.516 HG21 ' CD1' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.91 -26.81 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 65.12 111.113 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -30.9 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 74.11 111.143 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -22.1 61.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.866 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.99 -44.01 7.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 73.03 111.143 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -65.47 -15.07 62.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 64.44 110.895 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -92.44 -49.2 6.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 75.32 110.819 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -52.03 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 74.12 110.841 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 70.2 110.886 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.743 0.306 . . . . 70.44 110.886 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.29 129.89 16.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 65.54 111.09 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -103.75 132.79 49.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 51.35 110.846 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -81.93 167.08 19.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 74.25 110.824 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -174.47 -179.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.45 110.893 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -124.73 144.35 50.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 63.44 110.898 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 63.13 104.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 65.13 110.847 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.598 ' HB3' HD13 ' A' ' 12' ' ' ILE . 2.6 m-70 -72.65 108.63 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 70.43 110.87 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.517 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -170.2 -47.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 71.53 111.135 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -44.51 19.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 62.41 110.898 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 t -90.33 -18.93 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 74.31 111.132 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.598 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.3 OUTLIER -83.37 -28.56 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 71.43 111.164 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.53 -19.84 60.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 73.11 110.903 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -83.12 -20.88 33.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 75.31 110.895 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -73.94 -24.97 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 75.24 111.121 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.5 tp -52.84 -49.19 66.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 75.12 110.904 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.95 -18.84 65.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 71.2 110.886 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -40.04 48.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.881 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.141 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.08 -27.7 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 73.24 111.168 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.453 ' HA ' HD12 ' A' ' 23' ' ' ILE . 1.9 t80 -80.91 -18.91 45.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 53.21 110.933 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -69.39 -34.9 75.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 60.3 110.869 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -35.95 74.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.22 110.864 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 20' ' ' PHE . 86.0 mt -51.96 -38.25 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 52.44 111.148 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.1 m -81.0 -23.6 38.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.893 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -77.56 -57.79 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 62.23 110.861 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.9 pp -51.67 -30.02 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 74.34 111.122 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.754 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -60.19 -41.81 98.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.749 . . . . 33.2 112.528 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -28.24 25.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.756 0.312 . . . . 71.11 111.152 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -79.79 -31.64 40.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 73.11 110.899 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.2 t -81.97 -27.23 33.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.44 110.877 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 27' ' ' GLY . 58.3 t -59.67 -20.52 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 62.33 111.118 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.77 -56.48 3.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 74.55 110.89 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.613 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -56.12 -23.35 33.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 73.22 111.095 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.73 -40.76 44.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 55.12 112.49 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.5 ' O ' HD13 ' A' ' 39' ' ' LEU . 26.0 mmm-85 -88.83 -21.86 23.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 74.21 110.828 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -78.71 -36.17 43.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 61.03 110.876 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.687 HG13 HD13 ' A' ' 111' ' ' LEU . 1.0 OUTLIER -73.11 -40.07 57.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 61.01 111.125 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.0 -45.82 63.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 71.25 110.892 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 35' ' ' ARG . 1.5 mp -51.73 -30.66 23.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 72.34 110.913 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.06 -35.16 49.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 43.13 110.899 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.734 ' NE2' ' HB2' ' A' ' 108' ' ' ALA . 64.7 mm-40 -50.85 103.96 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 65.13 110.951 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -131.21 4.39 4.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 63.22 110.897 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.52 ' HA3' HG22 ' A' ' 105' ' ' THR . . . -70.29 -30.15 69.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.792 -0.718 . . . . 63.54 112.44 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 131.08 89.34 0.49 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 71.43 112.528 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.08 -151.88 13.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 51.14 112.513 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -145.66 -81.69 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.755 -0.736 . . . . 44.14 112.495 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.16 165.28 1.28 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 51.25 112.539 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -99.65 -164.93 29.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.747 . . . . 61.33 112.528 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -9.99 27.45 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.688 2.259 . . . . 72.43 112.354 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.4 mt -73.25 -21.99 60.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 72.41 110.923 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -28.16 49.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 75.41 110.943 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.98 -38.85 86.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 75.44 110.903 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.34 -26.35 6.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 52.23 111.131 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t -75.94 -31.93 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 64.01 111.124 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.25 -24.75 22.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 75.33 110.886 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.9 t -85.8 -45.15 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 61.41 111.118 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.7 mm -75.17 -22.41 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 73.34 111.1 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.489 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.69 -60.67 5.49 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.681 0.753 . . . . 74.22 110.918 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.516 ' HB2' HD22 ' A' ' 91' ' ' LEU . 53.2 Cg_endo -69.75 -26.31 27.74 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.663 2.242 . . . . 70.2 112.312 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -35.6 80.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 75.01 110.874 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -54.69 -57.75 10.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.54 110.898 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -55.62 -25.7 40.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 72.32 110.906 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -84.31 -24.9 29.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 64.13 110.899 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.9 m -56.46 -41.35 76.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 75.52 110.83 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -68.44 -26.46 65.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 75.34 110.908 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.745 HD13 ' OG ' ' A' ' 84' ' ' SER . 72.7 mt -69.13 -38.8 79.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 75.02 110.952 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.4 m -62.63 -17.43 60.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 73.22 111.112 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.39 -13.34 38.9 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 44.04 112.492 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.77 HD23 ' HD2' ' A' ' 80' ' ' LYS . 9.7 tp -91.04 -9.36 46.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.892 0.377 . . . . 74.23 110.917 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.706 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.01 -31.68 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 71.31 111.127 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -98.15 1.09 47.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 73.03 110.856 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -123.15 -58.42 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.492 . . . . 71.44 110.935 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 tt -113.79 73.5 2.25 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.557 0.694 . . . . 64.12 110.894 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 129.08 16.97 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.625 2.216 . . . . 74.53 112.357 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.7 m -100.44 -17.55 17.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 64.12 111.201 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -178.04 -170.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.795 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.3 p -63.29 -16.37 60.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 61.51 110.873 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.86 38.29 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 64.21 112.505 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -69.79 -68.57 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 63.33 110.9 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.77 ' HD2' HD23 ' A' ' 69' ' ' LEU . 9.4 mmtt -55.58 -27.29 48.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 75.14 110.897 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.706 ' HG2' HG21 ' A' ' 70' ' ' VAL . 9.9 mtt -77.58 -61.04 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 74.55 110.869 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 t -58.24 -26.18 62.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 73.21 111.088 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -76.64 -29.23 56.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 73.35 110.866 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.745 ' OG ' HD13 ' A' ' 66' ' ' LEU . 51.1 m -85.0 -25.94 27.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 64.01 110.859 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.647 ' HA ' HD12 ' A' ' 88' ' ' LEU . 1.6 mmmt -65.21 -24.48 67.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 71.13 110.901 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.07 -17.93 59.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.873 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.2 t -77.31 -23.03 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 65.43 111.147 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.67 HD11 HG21 ' A' ' 123' ' ' VAL . 4.1 mt -68.6 -35.89 77.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 61.45 110.974 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.509 ' O ' HG22 ' A' ' 92' ' ' THR . 1.9 tppp? -79.03 -34.75 43.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 73.45 110.883 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 t -81.04 -19.99 42.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 74.04 110.88 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.516 HD22 ' HB2' ' A' ' 59' ' ' PRO . 2.0 tp -71.31 -46.03 61.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 73.35 110.94 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.9 t -53.85 -27.3 29.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 72.43 111.159 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.5 -35.76 60.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 71.15 110.906 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -83.57 -22.94 32.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 72.43 110.914 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.61 HD23 ' SD ' ' A' ' 116' ' ' MET . 19.9 tp -82.52 -23.0 34.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 70.41 110.884 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -67.66 -32.83 73.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 70.04 110.905 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -12.49 60.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 65.32 110.868 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.32 -24.75 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 71.4 111.093 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 70.8 t -57.2 -23.29 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 51.33 111.131 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -89.5 -13.74 36.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 71.55 110.867 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.618 ' C ' HD12 ' A' ' 102' ' ' ILE . 3.3 mm? -104.4 69.4 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 72.41 110.966 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.618 HD12 ' C ' ' A' ' 101' ' ' LEU . 2.4 mp 49.93 79.88 0.32 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.625 0.726 . . . . 74.41 111.181 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 151.99 69.08 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.653 2.235 . . . . 64.44 112.325 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 p -82.56 -179.95 7.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 64.45 110.87 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.52 HG22 ' HA3' ' A' ' 43' ' ' GLY . 30.4 p -59.21 -178.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 72.53 111.139 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.48 1.46 41.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 52.32 110.865 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.605 ' O ' HD12 ' A' ' 111' ' ' LEU . 0.5 OUTLIER -94.0 -35.18 12.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 73.32 110.882 -179.835 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.734 ' HB2' ' NE2' ' A' ' 41' ' ' GLN . . . -81.13 -19.45 43.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 61.5 111.137 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.54 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -61.49 -57.51 24.62 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.615 0.721 . . . . 75.43 111.139 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.4 Cg_endo -69.79 -17.71 37.29 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.247 . . . . 72.05 112.363 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.687 HD13 HG13 ' A' ' 37' ' ' ILE . 2.6 mt -83.78 -55.07 4.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 73.1 110.912 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -60.24 -23.9 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 35.41 111.135 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -71.57 -23.75 77.65 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.72 -0.752 . . . . 62.44 112.516 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -78.06 -51.67 9.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 75.3 110.881 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.613 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 34.3 m-85 -63.96 -19.05 64.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 71.43 110.904 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.61 ' SD ' HD23 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -56.14 -64.93 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 71.14 110.873 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 36.1 mt -72.49 -25.02 61.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.261 -0.427 . . . . 74.14 110.886 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -52.0 -34.91 44.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 71.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 86.7 m -78.69 -30.8 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 71.35 111.138 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.669 ' HG2' HD13 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -71.1 -38.25 72.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 72.44 110.902 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.67 -45.32 87.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 73.35 110.855 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -52.04 -31.58 30.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 70.32 110.871 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.67 HG21 HD11 ' A' ' 88' ' ' LEU . 92.8 t -54.54 -26.76 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 70.31 111.114 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.66 ' HG3' HD11 ' A' ' 127' ' ' ILE . 8.9 tt0 -62.4 -19.95 63.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 71.41 110.88 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 7.2 m -54.81 -27.45 41.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 74.54 110.839 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.439 ' O ' HG23 ' A' ' 130' ' ' THR . 22.4 m -66.92 -56.56 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 62.44 110.81 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.66 HD11 ' HG3' ' A' ' 124' ' ' GLU . 24.6 pt -66.53 -24.1 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 51.13 111.126 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.9 tttm -70.77 -57.49 4.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 61.13 110.896 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 1.141 HD12 HG23 ' A' ' 19' ' ' VAL . 28.7 mt -61.4 -47.85 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 71.01 111.118 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.525 ' O ' HG12 ' A' ' 133' ' ' VAL . 71.7 p -58.75 -22.54 58.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 64.14 111.133 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -60.02 -18.63 47.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 74.02 110.866 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -83.64 -25.47 30.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 74.2 110.9 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 130' ' ' THR . 0.5 OUTLIER -64.76 -19.13 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 33.14 111.147 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.7 pp -63.09 -23.73 34.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 74.33 111.117 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.09 -31.77 32.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 74.11 110.884 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.93 -25.36 18.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 70.14 111.137 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -32.97 65.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.845 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -77.01 -46.79 22.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 73.02 110.864 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -56.92 -71.03 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 74.31 110.861 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 63.44 110.853 -179.799 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ttp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.817 0.341 . . . . 73.21 110.896 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.86 151.03 42.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 43.02 111.11 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -158.72 91.97 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 71.43 110.867 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -123.66 176.8 6.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 73.43 110.885 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -158.04 129.62 6.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 72.23 110.871 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.13 -176.31 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 63.12 110.877 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.14 172.6 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.853 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.717 ' HB3' HD13 ' A' ' 12' ' ' ILE . 2.1 m-70 -131.16 106.17 8.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 74.45 110.848 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.52 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -171.43 -47.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 72.4 111.1 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 32.1 mmt -80.24 -44.56 19.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 72.32 110.868 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.4 m -90.3 -18.96 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 64.01 111.096 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.717 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.46 -28.48 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 63.11 111.108 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.22 -23.43 62.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 52.31 110.887 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.37 -31.46 26.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 74.2 110.847 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.8 mm -56.05 -25.04 18.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 74.13 111.124 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.4 tp -51.98 -51.99 53.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 74.01 110.933 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -66.07 -18.8 65.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 72.53 110.898 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -76.99 -40.32 47.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 65.54 110.859 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.003 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.12 -27.78 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 52.54 111.136 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.717 ' HA ' HD12 ' A' ' 23' ' ' ILE . 3.0 t80 -80.83 -18.95 45.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 73.03 110.923 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -68.36 -53.55 23.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 74.44 110.844 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -41.29 71.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 64.43 110.905 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 20' ' ' PHE . 80.4 mt -52.48 -35.53 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 63.44 111.174 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.2 m -81.0 -25.56 37.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 72.35 110.919 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.24 -54.15 6.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 74.13 110.863 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.9 tp -56.49 -24.54 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 43.44 111.108 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.411 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -80.33 -15.98 77.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 74.41 112.474 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.0 m -91.99 -23.5 19.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.755 0.312 . . . . 71.04 111.11 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -84.04 -41.04 17.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 64.41 110.882 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.5 m -62.23 -17.99 59.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 45.44 110.839 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.54 HG22 ' CZ ' ' A' ' 52' ' ' PHE . 62.6 t -60.0 -20.81 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 71.31 111.117 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -87.76 -55.05 3.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 43.24 110.911 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.45 -25.91 18.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 72.31 111.126 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.01 -40.51 88.7 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.742 . . . . 73.03 112.507 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.44 -21.48 22.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.818 0.342 . . . . 73.41 110.892 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mp -78.89 -35.62 43.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 64.31 110.938 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.539 HG23 HD13 ' A' ' 111' ' ' LEU . 1.1 mp -76.18 -50.3 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 73.25 111.088 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.9 -56.45 20.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 71.32 110.903 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mp -51.48 -36.33 43.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 72.04 110.864 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -57.24 -39.42 75.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 61.53 110.843 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.604 ' HG3' ' HB2' ' A' ' 108' ' ' ALA . 14.3 mm-40 -85.13 -41.54 15.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 63.4 110.955 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.76 -35.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 71.43 110.919 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.63 -28.2 14.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.716 -0.754 . . . . 62.4 112.466 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 52.18 -153.68 5.76 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 34.24 112.478 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.33 -114.72 0.3 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 73.1 112.521 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.14 -121.03 12.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 65.44 112.48 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.22 158.53 3.2 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.781 -0.724 . . . . 75.35 112.479 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.45 -164.93 28.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 74.12 112.476 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -9.93 27.3 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.274 . . . . 75.12 112.319 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.504 ' O ' HG23 ' A' ' 54' ' ' VAL . 5.3 mt -73.36 -21.95 60.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 60.54 110.903 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -36.64 58.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 64.13 110.927 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.54 ' CZ ' HG22 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -63.14 -30.49 71.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 74.34 110.88 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.527 ' HA ' HG12 ' A' ' 56' ' ' VAL . 48.2 t -88.63 -27.92 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 74.43 111.122 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 50' ' ' LEU . 38.7 t -80.8 -28.98 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 74.32 111.14 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.15 -24.89 23.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.884 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.527 HG12 ' HA ' ' A' ' 53' ' ' VAL . 4.8 p -88.62 -28.31 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 61.45 111.129 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.0 mm -91.15 -25.88 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 73.4 111.151 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.496 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.1 mm-40 -51.01 -60.16 6.15 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.667 0.746 . . . . 73.41 110.857 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.5 Cg_endo -69.78 -34.27 14.85 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.706 2.271 . . . . 74.34 112.336 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.1 m -63.91 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 63.11 110.916 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -56.92 -57.63 11.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 75.2 110.887 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.54 -25.74 39.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 75.33 110.905 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -85.06 -24.86 27.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 75.51 110.848 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.65 -39.38 61.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 73.51 110.84 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.573 ' O ' HD23 ' A' ' 69' ' ' LEU . 26.0 mt-10 -76.25 -24.44 54.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 72.33 110.913 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.9 mt -72.87 -45.23 59.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 74.44 110.929 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.407 HG21 ' CD2' ' A' ' 20' ' ' PHE . 6.3 t -73.64 -7.49 52.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 52.41 111.154 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -106.39 -18.61 10.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 42.4 112.471 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 65' ' ' GLU . 2.5 mm? -91.04 -22.14 20.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 75.53 110.887 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.816 HG21 ' HG2' ' A' ' 81' ' ' MET . 17.4 t -89.19 -30.52 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 71.43 111.109 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -91.77 -2.06 57.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 73.04 110.87 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -102.92 -65.11 1.02 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.471 . . . . 74.23 110.897 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.3 mt -153.11 73.0 7.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.593 0.711 . . . . 73.41 110.873 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 129.22 17.21 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.723 2.282 . . . . 62.42 112.36 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -115.59 43.83 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 71.25 111.163 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 178.01 168.47 0.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 51.23 110.855 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 m -68.41 -12.35 61.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 74.54 110.86 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 169.41 42.07 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.744 -0.741 . . . . 70.34 112.502 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.534 ' O ' HG22 ' A' ' 82' ' ' THR . 3.6 mt-10 -51.97 -61.2 2.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.956 0.408 . . . . 72.44 110.908 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -81.07 -23.18 38.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 74.13 110.879 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.816 ' HG2' HG21 ' A' ' 70' ' ' VAL . 12.0 mtt -64.51 -48.16 76.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.415 . . . . 51.14 110.897 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 79' ' ' GLU . 5.8 t -53.46 -27.9 27.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 71.43 111.135 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.75 ' O ' HG23 ' A' ' 87' ' ' VAL . 8.4 tt0 -70.0 -33.02 71.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 75.23 110.888 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.7 t -64.37 -25.88 68.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 62.14 110.845 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.7 tttt -77.3 -27.88 53.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 73.35 110.931 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.1 t -87.07 -17.96 31.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 44.4 110.852 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 83' ' ' GLU . 84.3 t -76.4 -25.85 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 71.1 111.154 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.593 HD13 ' HB3' ' A' ' 120' ' ' LYS . 53.5 mt -86.01 -35.38 20.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 72.22 110.894 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.487 ' O ' HG22 ' A' ' 92' ' ' THR . 0.2 OUTLIER -79.09 -34.51 43.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 72.51 110.853 179.869 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.4 t -81.4 -19.97 41.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 61.21 110.848 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 91' ' ' LEU . 2.1 tp -71.49 -46.61 59.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 72.21 110.9 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.6 t -53.32 -27.57 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 50.35 111.13 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -42.4 62.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.21 -0.45 . . . . 50.33 110.889 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.64 -22.81 32.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 64.22 110.878 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.68 -22.85 53.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 61.43 110.878 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -83.0 -39.5 21.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 72.45 110.864 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.32 -12.33 60.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 72.53 110.909 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.73 -24.47 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 74.04 111.137 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.487 HG22 ' HB3' ' A' ' 103' ' ' PRO . 0.5 OUTLIER -58.0 -20.24 14.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 72.12 111.116 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -86.87 -16.85 34.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 73.55 110.904 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.744 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 tp -93.0 -67.2 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 64.14 110.913 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.744 HD12 ' HB3' ' A' ' 101' ' ' LEU . 3.3 mp -137.91 74.38 44.37 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.716 . . . . 75.44 111.12 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.487 ' HB3' HG22 ' A' ' 99' ' ' VAL . 54.0 Cg_endo -69.8 146.17 59.13 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.674 2.249 . . . . 63.35 112.371 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 60.7 p -127.18 -170.02 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 63.02 110.89 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 30.1 p -51.9 163.84 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 65.44 111.117 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 t -89.74 5.15 47.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 72.42 110.863 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 57.7 m -88.6 -32.01 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 71.53 110.879 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.604 ' HB2' ' HG3' ' A' ' 41' ' ' GLN . . . -80.41 -16.95 53.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 74.21 111.122 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.537 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -62.04 -57.58 22.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.626 0.727 . . . . 63.31 111.108 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.2 Cg_endo -69.72 -18.75 37.03 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.697 2.265 . . . . 73.43 112.36 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.539 HD13 HG23 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -83.42 -49.86 8.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 75.22 110.887 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.1 tt -56.79 -24.17 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 62.34 111.093 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -52.79 -27.18 27.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 54.04 112.477 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -75.93 -51.87 11.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.792 0.329 . . . . 73.52 110.914 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -69.28 -19.03 63.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 72.13 110.903 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.29 -64.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 75.03 110.916 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.71 -24.98 61.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 50.33 110.899 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -52.08 -55.32 21.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.847 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 97.2 m -63.53 -24.8 67.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 75.15 111.13 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.593 ' HB3' HD13 ' A' ' 88' ' ' LEU . 17.3 mttt -75.53 -41.12 55.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 64.32 110.864 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -62.22 -43.04 99.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 71.11 110.869 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -52.97 -33.74 52.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 75.23 110.879 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.533 HG21 HD21 ' A' ' 88' ' ' LEU . 28.1 t -54.86 -26.35 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 61.35 111.159 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.699 ' CD ' HD11 ' A' ' 127' ' ' ILE . 0.5 OUTLIER -61.15 -19.98 62.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 74.25 110.934 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.0 m -57.88 -39.64 78.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 74.2 110.86 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -56.52 20.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 62.23 110.833 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.699 HD11 ' CD ' ' A' ' 124' ' ' GLU . 25.8 pt -66.24 -24.28 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 74.24 111.135 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -70.79 -55.08 9.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 72.1 110.904 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 1.003 HD12 HG23 ' A' ' 19' ' ' VAL . 22.8 mt -57.09 -38.74 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 74.13 111.138 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 20.4 p -78.45 -22.54 47.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 54.03 111.155 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.19 -18.42 48.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 75.45 110.873 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -84.74 -19.85 32.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 54.22 110.852 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.465 HG21 HD13 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.66 -25.7 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 63.44 111.122 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.67 -22.87 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 75.24 111.121 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -82.4 -25.39 33.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 75.52 110.87 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.08 -43.99 7.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 52.12 111.134 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -60.56 -39.38 87.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 71.22 110.869 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -64.58 -43.86 92.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 63.21 110.835 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 11.3 mtt-85 -51.98 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 75.01 110.859 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 64.51 110.823 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.809 0.338 . . . . 63.44 110.936 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.46 178.85 6.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 71.53 111.128 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -133.55 145.85 50.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 65.5 110.84 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -133.59 179.57 6.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 71.32 110.857 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -123.22 60.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 73.13 110.876 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.47 -173.27 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.851 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.24 171.1 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.874 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.639 ' HB3' HD13 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -119.8 116.17 25.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 73.43 110.852 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.508 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -170.8 -47.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 42.42 111.085 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.19 -44.46 19.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 72.14 110.867 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.36 -18.96 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 65.43 111.107 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.639 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.3 OUTLIER -83.42 -28.47 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 33.25 111.114 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -79.35 -19.77 49.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 73.24 110.859 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -81.2 -43.01 19.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 73.14 110.853 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.3 mt -56.63 -25.15 20.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 71.52 111.13 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.4 tp -55.68 -38.07 69.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 54.51 110.927 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -18.82 65.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 74.22 110.92 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.77 -40.65 47.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 75.22 110.939 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.1 -27.76 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 61.31 111.132 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.797 ' HA ' HD12 ' A' ' 23' ' ' ILE . 3.5 t80 -80.8 -19.02 45.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 75.11 110.872 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -67.52 -54.93 15.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 72.22 110.886 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.425 ' O ' HG22 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -58.34 -39.42 79.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 74.44 110.934 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.797 HD12 ' HA ' ' A' ' 20' ' ' PHE . 46.9 mt -51.69 -34.91 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 70.34 111.186 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.97 -55.6 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 71.45 110.902 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -56.55 13.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.896 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 22' ' ' LYS . 10.2 tp -54.4 -26.96 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 70.5 111.145 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.4 -36.23 92.4 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 70.31 112.477 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.0 -20.97 20.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.771 0.32 . . . . 71.23 111.141 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -72.68 -39.57 66.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 61.41 110.863 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.34 -18.0 63.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 72.34 110.827 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.6 t -61.08 -20.51 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 72.12 111.181 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -86.26 -59.25 2.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 74.21 110.873 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.428 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -55.73 -22.63 24.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 63.4 111.146 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.06 -38.71 29.39 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.744 -0.741 . . . . 75.22 112.492 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.54 -23.38 23.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.811 0.339 . . . . 74.44 110.905 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mp -77.33 -39.16 48.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 71.5 110.88 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.523 HG23 HD13 ' A' ' 111' ' ' LEU . 1.3 mp -74.13 -40.63 51.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 75.51 111.14 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -65.01 -58.67 5.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 75.43 110.878 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.415 HD12 ' HA2' ' A' ' 43' ' ' GLY . 4.6 mp -50.55 -35.8 31.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 73.0 110.942 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.9 t -58.65 -38.68 78.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 63.43 110.849 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.456 ' NE2' HD12 ' A' ' 111' ' ' LEU . 1.8 mt-30 -84.13 -40.13 18.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 72.53 110.892 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -179.57 -34.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 74.32 110.938 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.415 ' HA2' HD12 ' A' ' 39' ' ' LEU . . . 95.95 -23.74 33.01 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 54.33 112.512 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.79 -176.57 5.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 73.51 112.458 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -140.34 -110.52 0.87 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 64.41 112.499 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.583 ' HA3' HG23 ' A' ' 102' ' ' ILE . . . 52.58 -128.99 37.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 65.11 112.47 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.06 -179.83 0.42 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.685 -0.769 . . . . 24.33 112.461 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.49 179.92 51.51 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 73.54 112.447 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -10.87 29.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.643 2.229 . . . . 72.14 112.329 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.518 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -79.28 -21.96 45.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 74.3 110.913 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.57 -29.43 66.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 63.53 110.92 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -60.79 -62.06 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 70.4 110.895 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.509 HG22 ' CG1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -69.73 -26.56 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 71.02 111.14 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 t -72.63 -32.97 43.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 61.11 111.096 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -89.16 -24.66 22.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.866 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.5 t -85.93 -44.94 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 74.53 111.129 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.509 ' CG1' HG22 ' A' ' 53' ' ' VAL . 24.5 mm -75.21 -22.56 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 73.51 111.097 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.49 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.1 mt-10 -51.89 -60.52 5.91 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.608 0.718 . . . . 74.2 110.893 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.602 ' HB2' HD22 ' A' ' 91' ' ' LEU . 53.9 Cg_endo -69.76 -25.92 28.11 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.676 2.251 . . . . 74.21 112.335 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -35.93 81.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.873 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -58.99 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.876 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -55.72 -25.55 40.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 65.25 110.901 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.4 ' HA ' HD12 ' A' ' 66' ' ' LEU . 2.4 t80 -83.41 -24.79 31.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 71.41 110.92 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.09 -42.86 95.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 64.4 110.83 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -64.15 -28.47 69.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 75.32 110.898 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.738 HD13 ' OG ' ' A' ' 84' ' ' SER . 70.6 mt -66.67 -38.04 85.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 70.11 110.919 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.4 p -62.91 -16.25 58.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 60.01 111.122 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.06 -13.47 36.57 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 72.2 112.49 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.773 HD23 ' HD2' ' A' ' 80' ' ' LYS . 9.1 tp -91.03 -11.99 37.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.8 0.334 . . . . 74.12 110.906 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.73 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.04 -31.8 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 65.35 111.105 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -96.34 1.02 51.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 60.52 110.879 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -126.88 -48.08 1.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 75.43 110.882 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 26.9 tp -117.65 68.31 5.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.65 0.738 . . . . 71.22 110.924 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 129.19 17.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.713 2.275 . . . . 72.13 112.35 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.5 m -109.67 -16.65 13.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 74.33 111.095 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -177.91 -171.24 0.28 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 71.21 110.883 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.81 -16.81 59.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 64.25 110.907 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.0 39.16 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.782 -0.723 . . . . 52.53 112.526 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.67 -58.35 5.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 74.43 110.924 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.773 ' HD2' HD23 ' A' ' 69' ' ' LEU . 3.2 mmtm -69.33 -29.78 67.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 72.51 110.886 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.73 ' HG2' HG21 ' A' ' 70' ' ' VAL . 11.0 mtt -72.16 -58.27 3.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 71.13 110.899 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.4 t -56.71 -26.46 56.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 50.43 111.117 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -78.18 -22.05 49.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 72.24 110.869 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.738 ' OG ' HD13 ' A' ' 66' ' ' LEU . 20.0 m -84.99 -25.89 27.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 74.35 110.86 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.68 ' HA ' HD12 ' A' ' 88' ' ' LEU . 14.8 mttt -66.54 -35.72 80.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 63.4 110.892 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.14 -18.03 59.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 55.43 110.862 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.3 t -84.36 -23.28 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 75.14 111.108 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.68 HD12 ' HA ' ' A' ' 85' ' ' LYS . 1.6 mt -69.42 -35.74 76.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 70.22 110.936 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.496 ' O ' HG22 ' A' ' 92' ' ' THR . 14.0 mttp -79.03 -34.56 43.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 64.21 110.878 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.3 t -81.22 -20.04 41.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 72.24 110.873 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.602 HD22 ' HB2' ' A' ' 59' ' ' PRO . 2.1 tp -71.54 -46.13 60.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 74.23 110.944 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.1 t -53.79 -27.26 28.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 62.34 111.138 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -54.78 -30.79 57.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 73.52 110.909 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.58 -23.08 32.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 71.34 110.863 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.03 -40.75 19.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 72.24 110.893 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -62.76 -23.97 67.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 64.4 110.903 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -9.91 59.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 75.32 110.914 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -50.18 -25.21 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 53.54 111.158 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.1 t -58.27 -19.69 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 65.24 111.113 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -87.35 -14.93 39.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 64.24 110.863 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.641 ' C ' HD13 ' A' ' 102' ' ' ILE . 1.1 mp -110.55 -68.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.25 110.891 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.641 HD13 ' C ' ' A' ' 101' ' ' LEU . 3.2 mm -122.42 72.83 39.44 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 73.51 111.074 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 116.54 4.61 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.718 2.279 . . . . 74.32 112.288 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.0 t -105.66 -170.18 1.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 62.53 110.863 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 33.5 p -52.6 138.3 28.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 73.3 111.109 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.55 -8.6 56.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 62.32 110.821 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.3 m -79.56 -31.5 41.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 54.53 110.856 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.92 -17.01 54.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 72.54 111.057 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.539 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -54.69 -57.56 18.49 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.611 0.719 . . . . 60.13 111.105 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.76 -31.76 19.88 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.65 2.233 . . . . 74.54 112.36 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.523 HD13 HG23 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -67.62 -59.26 3.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 64.41 110.974 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.1 tp -56.14 -24.97 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 70.11 111.099 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.33 -21.04 46.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.727 . . . . 62.52 112.449 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -43.75 25.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 71.11 110.9 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.428 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 72.0 m-85 -68.12 -21.69 64.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 72.22 110.906 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 12.3 mtp -68.18 -53.49 24.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 53.13 110.886 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 19.8 mt -56.36 -25.03 47.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 74.03 110.891 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -52.0 -30.17 24.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.852 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 3.2 m -80.0 -34.36 38.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 71.2 111.16 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.465 ' O ' HG12 ' A' ' 123' ' ' VAL . 0.8 OUTLIER -76.09 -28.1 57.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 74.55 110.871 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -85.48 -17.28 36.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 73.32 110.893 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.55 -44.05 62.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 75.42 110.869 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.465 HG12 ' O ' ' A' ' 120' ' ' LYS . 7.6 p -57.19 -23.67 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 73.22 111.113 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -60.52 -20.19 59.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 72.43 110.852 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.5 t -69.68 -20.76 63.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 72.13 110.893 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.43 -55.94 6.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 73.03 110.879 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 28.5 pt -57.36 -25.08 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 72.32 111.095 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -78.13 -33.84 50.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 70.24 110.889 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 64.8 mt -76.45 -54.69 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 64.11 111.149 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.0 p -59.6 -22.49 61.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 72.31 111.165 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.18 -18.45 48.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 75.4 110.904 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.71 -19.85 32.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 74.32 110.89 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.67 -25.73 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 55.2 111.122 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.6 -22.94 14.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 72.32 111.107 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.37 -25.34 33.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 63.02 110.92 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.06 -44.02 7.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 72.52 111.163 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -60.36 -40.65 91.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 73.54 110.854 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -63.3 -43.05 98.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 74.53 110.871 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 12.3 mtt-85 -52.01 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 72.32 110.866 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 53.45 110.878 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 mtp . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.803 0.335 . . . . 64.01 110.894 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.59 167.58 21.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 73.51 111.1 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -135.4 117.01 14.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 50.02 110.878 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -104.78 -178.21 3.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 71.32 110.896 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.42 142.55 27.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 73.3 110.846 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -173.59 -169.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 72.54 110.838 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.1 166.5 22.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 75.53 110.852 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.598 ' CB ' HD13 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -169.75 123.86 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 62.43 110.841 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.52 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -171.22 -47.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 54.42 111.088 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 28.4 mmt -80.2 -44.51 19.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 74.14 110.905 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 t -90.29 -18.94 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 75.22 111.141 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.686 HD12 HG21 ' A' ' 133' ' ' VAL . 0.3 OUTLIER -83.42 -28.46 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 74.01 111.145 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -72.37 -18.27 61.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 73.43 110.846 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -83.47 -47.48 11.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 71.32 110.81 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.0 mt -56.16 -24.98 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 65.4 111.109 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 tp -51.94 -51.46 56.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 75.55 110.883 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -65.38 -18.86 65.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.883 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.73 -40.26 49.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 73.31 110.95 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.581 HG23 HD13 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.16 -27.7 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 73.12 111.149 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.742 ' HA ' HD12 ' A' ' 23' ' ' ILE . 2.4 t80 -80.89 -18.97 45.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 64.45 110.901 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -68.32 -56.55 8.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 72.34 110.823 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -51.53 -41.05 60.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 70.34 110.934 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.742 HD12 ' HA ' ' A' ' 20' ' ' PHE . 68.0 mt -54.19 -34.76 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 54.01 111.157 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -25.72 61.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 65.21 110.911 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.99 -46.54 11.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 62.22 110.934 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.6 tp -56.48 -24.52 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 71.41 111.142 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.738 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.81 -41.7 93.44 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.771 -0.728 . . . . 54.43 112.478 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -27.66 28.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.754 0.311 . . . . 75.33 111.175 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -70.83 -38.84 73.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.9 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.6 p -82.04 -17.97 44.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 72.35 110.839 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 27' ' ' GLY . 61.8 t -73.83 -20.76 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.22 111.091 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -87.6 -55.41 3.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 65.13 110.877 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.76 -25.93 21.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 73.22 111.102 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.5 -41.02 90.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 72.44 112.529 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.567 ' O ' HD22 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -89.66 -21.84 22.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 52.21 110.891 -179.894 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mp -77.89 -35.05 51.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.919 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mp -77.34 -52.41 16.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 73.11 111.088 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -54.75 -51.36 65.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 74.02 110.849 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.567 HD22 ' O ' ' A' ' 35' ' ' ARG . 2.0 mp -50.87 -35.42 32.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 55.44 110.879 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 m -82.91 -29.6 29.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 72.23 110.864 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.696 ' NE2' ' HB2' ' A' ' 108' ' ' ALA . 0.5 OUTLIER -60.03 97.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 72.12 110.938 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -140.89 12.35 2.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 73.13 110.891 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.97 -25.56 55.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 73.43 112.504 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -131.41 -88.23 0.44 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 64.22 112.459 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 153.19 140.93 3.17 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.706 -0.759 . . . . 53.41 112.473 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.78 -169.28 38.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.711 -0.757 . . . . 73.43 112.458 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.35 -174.34 0.47 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 44.03 112.46 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -98.89 -165.05 30.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.717 -0.754 . . . . 73.13 112.481 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -9.98 27.42 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.708 2.272 . . . . 53.4 112.298 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mt -73.64 -29.67 62.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 75.54 110.932 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -35.47 77.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 64.24 110.891 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.518 ' HD2' HG23 ' A' ' 53' ' ' VAL . 1.8 t80 -64.62 -46.27 83.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 63.32 110.933 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.518 HG23 ' HD2' ' A' ' 52' ' ' PHE . 55.3 t -76.67 -29.38 18.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 71.35 111.172 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.0 t -76.18 -31.57 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 75.04 111.091 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -88.66 -24.89 22.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 53.13 110.883 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.6 t -86.06 -44.5 16.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 73.14 111.169 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.4 mm -75.31 -22.89 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 64.54 111.124 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.482 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.77 -60.46 5.96 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.67 0.748 . . . . 75.53 110.897 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.7 Cg_endo -69.8 -25.5 28.35 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.692 2.261 . . . . 73.34 112.354 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -33.17 75.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.32 110.904 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -55.76 -58.45 7.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 71.15 110.918 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -25.48 40.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 74.23 110.883 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.465 ' CG ' HD12 ' A' ' 66' ' ' LEU . 2.2 t80 -84.14 -24.93 30.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 74.33 110.893 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -40.26 69.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 52.43 110.877 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -68.92 -25.97 64.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 74.2 110.917 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.699 HD13 ' OG ' ' A' ' 84' ' ' SER . 61.2 mt -70.12 -39.28 75.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.935 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.7 m -62.61 -17.65 60.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 73.33 111.163 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.11 -13.17 40.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.792 -0.718 . . . . 51.13 112.504 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.764 HD23 ' HD2' ' A' ' 80' ' ' LYS . 9.7 tp -91.01 -9.44 45.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.369 . . . . 71.5 110.914 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.705 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -94.98 -31.67 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 72.12 111.149 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.45 ' HZ ' HG21 ' A' ' 129' ' ' ILE . 44.1 m-85 -98.05 1.03 47.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 62.45 110.887 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -123.09 -58.61 1.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 72.31 110.908 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.2 tp -113.74 73.57 2.23 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.631 0.729 . . . . 75.22 110.909 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 129.06 16.95 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 72.54 112.334 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 49.0 m -100.63 -17.17 17.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 71.2 111.158 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -178.02 -170.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 63.43 110.862 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.5 t -62.98 -16.62 60.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 64.44 110.87 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.76 38.99 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 74.23 112.493 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.84 -69.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.946 0.403 . . . . 70.52 110.875 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.764 ' HD2' HD23 ' A' ' 69' ' ' LEU . 9.8 mmtt -54.56 -26.94 35.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 73.55 110.929 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.705 ' HG2' HG21 ' A' ' 70' ' ' VAL . 9.4 mtt -78.16 -61.05 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 72.44 110.858 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 t -58.39 -26.25 63.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 73.32 111.14 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -77.49 -30.91 53.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 72.34 110.887 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.699 ' OG ' HD13 ' A' ' 66' ' ' LEU . 54.2 m -85.1 -25.69 27.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 71.4 110.847 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -65.41 -28.61 69.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 74.21 110.897 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.41 -18.06 62.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 70.44 110.833 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.8 t -79.91 -22.99 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 75.03 111.135 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.739 HD11 HG21 ' A' ' 123' ' ' VAL . 11.8 mt -68.71 -36.1 78.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 61.54 110.929 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.507 ' O ' HG22 ' A' ' 92' ' ' THR . 7.8 ttmm -79.32 -34.39 42.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 74.42 110.869 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -81.19 -19.96 42.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 75.53 110.844 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 91' ' ' LEU . 2.1 tp -70.96 -46.04 63.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 72.41 110.9 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.507 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.8 t -53.57 -27.46 26.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 75.54 111.16 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -51.95 -39.6 59.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.905 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.7 -22.93 31.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 51.45 110.843 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.05 -41.1 62.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 63.43 110.936 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -64.32 -29.04 70.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 75.04 110.898 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -12.49 61.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 63.33 110.909 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.84 -24.31 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 75.51 111.115 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.498 HG22 ' HB3' ' A' ' 103' ' ' PRO . 0.5 OUTLIER -58.25 -20.0 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 70.05 111.129 179.859 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.59 -15.75 36.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 75.21 110.9 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.96 -66.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 72.44 110.898 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.431 ' H ' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -143.21 73.96 17.72 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.71 . . . . 45.35 111.103 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.498 ' HB3' HG22 ' A' ' 99' ' ' VAL . 53.6 Cg_endo -69.69 79.07 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.722 2.281 . . . . 65.2 112.345 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.04 -74.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 53.41 110.861 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -155.41 176.99 11.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 73.55 111.157 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 34.2 m -88.26 7.41 32.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 50.31 110.833 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.699 ' O ' HD23 ' A' ' 111' ' ' LEU . 40.4 m -83.1 -46.37 12.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 55.15 110.858 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.696 ' HB2' ' NE2' ' A' ' 41' ' ' GLN . . . -79.84 -17.01 54.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 74.31 111.112 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.531 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -53.4 -57.52 16.6 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.62 0.724 . . . . 63.45 111.146 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.9 Cg_endo -69.75 -33.46 16.59 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.677 2.251 . . . . 74.43 112.321 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.699 HD23 ' O ' ' A' ' 107' ' ' SER . 2.8 mm? -51.95 -59.65 4.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 53.3 110.909 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 7.2 tt -56.12 -24.99 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 73.31 111.102 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -67.89 -32.76 78.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.72 . . . . 73.44 112.489 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -71.79 -46.56 57.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 74.11 110.915 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -77.8 -18.97 55.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 71.4 110.917 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -64.97 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 61.44 110.879 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.0 tt -60.66 -25.02 66.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 75.11 110.913 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -52.03 -30.31 24.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 71.11 110.881 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 123' ' ' VAL . 1.1 m -87.05 -27.86 22.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 63.42 111.155 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.65 -44.8 66.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 72.43 110.881 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.09 -31.96 73.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 73.5 110.905 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -63.97 -25.99 68.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 72.31 110.884 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.739 HG21 HD11 ' A' ' 88' ' ' LEU . 12.3 t -68.2 -23.03 28.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 63.43 111.074 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.81 -20.03 65.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 71.42 110.906 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.9 m -75.22 -19.96 59.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 73.12 110.844 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.7 m -63.27 -40.49 97.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 43.15 110.814 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.455 ' H ' HD12 ' A' ' 127' ' ' ILE . 1.7 mp -83.99 -24.8 7.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 72.33 111.09 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -46.91 31.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 62.03 110.896 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.581 HD13 HG23 ' A' ' 19' ' ' VAL . 1.4 tp -57.24 -28.14 29.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 63.31 111.163 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.547 ' O ' HG12 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -76.08 -22.55 55.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 72.12 111.155 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -60.02 -18.65 47.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 74.44 110.889 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.99 -31.91 25.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 51.33 110.909 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.686 HG21 HD12 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -60.14 -19.97 19.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.495 . . . . 45.23 111.179 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.6 pp -61.18 -23.6 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 72.12 111.139 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -56.59 -33.88 66.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.885 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.17 -31.46 19.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 63.25 111.157 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -66.33 -33.47 75.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 72.3 110.864 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -76.77 -51.17 11.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.4 110.838 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -53.57 -69.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 64.44 110.843 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.24 110.872 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.739 0.304 . . . . 75.25 110.886 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 52.37 77.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 51.11 111.128 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -57.9 178.07 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 35.12 110.869 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.32 146.95 44.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 75.44 110.871 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -176.22 173.95 2.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 74.31 110.833 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -96.34 158.01 15.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.895 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.6 t60 57.97 71.56 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 70.23 110.892 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.705 ' HB3' HD13 ' A' ' 12' ' ' ILE . 7.1 m-70 -53.33 106.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 72.05 110.816 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.518 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -171.58 -47.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 75.3 111.098 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -44.55 19.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 72.43 110.806 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 t -90.27 -18.95 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 63.35 111.118 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.705 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.49 -28.4 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 73.5 111.123 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -74.27 -20.51 60.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 53.43 110.851 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -83.05 -46.21 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.875 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.0 mt -56.25 -24.96 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 51.24 111.136 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.93 -54.1 33.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 62.21 110.933 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -61.61 -18.9 61.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.14 110.907 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 t -77.57 -38.53 48.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 74.41 110.895 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.066 HG23 HD12 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -88.14 -28.22 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 73.53 111.092 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.665 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.93 -18.97 45.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 72.45 110.874 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -71.52 -58.02 3.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.882 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -51.49 -41.37 60.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 71.52 110.935 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.665 HD12 ' HA ' ' A' ' 20' ' ' PHE . 59.7 mt -54.1 -34.98 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 73.32 111.129 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.2 m -81.02 -20.99 40.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 65.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -84.32 -59.04 2.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.872 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.2 tp -71.87 -19.99 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 74.41 111.174 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.62 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -78.65 -31.04 46.39 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 71.03 112.482 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 t -91.99 -21.0 20.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.732 0.301 . . . . 71.24 111.155 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -68.55 -32.8 73.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 65.44 110.9 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.99 -25.39 34.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 72.12 110.861 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 27' ' ' GLY . 58.1 t -70.72 -20.51 22.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 62.52 111.101 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -87.33 -55.6 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 73.21 110.881 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.24 -26.05 16.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 73.05 111.081 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.62 -39.79 90.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 63.1 112.478 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.92 -23.35 22.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.341 . . . . 64.2 110.842 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -77.75 -35.5 51.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.93 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.614 HG12 HD22 ' A' ' 111' ' ' LEU . 1.1 mp -75.83 -50.35 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 71.01 111.134 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -55.8 -57.09 13.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 62.33 110.916 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.1 mp -51.47 -36.59 45.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 75.12 110.896 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -56.36 -38.31 71.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 72.35 110.874 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.674 ' CB ' HG21 ' A' ' 105' ' ' THR . 18.0 mm-40 -85.15 -39.88 17.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 53.44 110.888 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -179.45 -34.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 64.45 110.884 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.39 -26.27 16.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 71.25 112.465 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.61 -155.24 44.87 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.712 -0.756 . . . . 70.4 112.524 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.432 ' O ' HG23 ' A' ' 102' ' ' ILE . . . -155.25 157.17 27.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 70.24 112.535 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.57 106.05 1.3 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 70.04 112.504 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.66 138.17 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 35.54 112.5 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.4 -165.39 26.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 24.51 112.5 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -9.38 25.96 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.676 2.251 . . . . 74.25 112.328 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mt -75.72 -40.28 55.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.22 110.934 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.8 -36.14 79.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 73.02 110.883 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.508 ' HE2' HG13 ' A' ' 31' ' ' VAL . 8.5 t80 -64.24 -43.48 94.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 73.21 110.885 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.2 t -78.9 -29.24 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 63.43 111.104 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 t -76.58 -30.97 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 65.11 111.153 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -88.7 -24.66 22.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 74.34 110.934 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.8 t -86.71 -44.27 16.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 63.13 111.153 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.4 mm -75.03 -23.35 17.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 71.01 111.105 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.482 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.8 mt-10 -51.97 -60.57 5.84 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.624 0.726 . . . . 35.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 54.0 Cg_endo -69.78 -23.8 30.32 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.707 2.271 . . . . 71.21 112.338 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -33.91 76.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 65.2 110.879 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -52.19 -57.83 8.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 73.14 110.855 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -25.38 41.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 63.31 110.918 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.05 -24.82 30.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 64.43 110.867 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.48 -39.59 67.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 61.41 110.827 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -65.3 -25.95 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 51.21 110.893 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.1 mt -67.9 -34.41 76.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 52.23 110.944 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.2 m -62.69 -19.37 63.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 70.14 111.151 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.2 -13.6 38.64 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.744 . . . . 51.43 112.515 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.801 HD23 ' HD2' ' A' ' 80' ' ' LYS . 10.9 tp -91.09 -9.31 46.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 63.13 110.881 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.587 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.8 t -94.99 -31.75 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 72.44 111.122 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.526 ' CE2' HG23 ' A' ' 130' ' ' THR . 31.9 m-85 -98.02 1.05 47.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.859 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -123.02 -58.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 71.52 110.956 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tt -113.78 73.6 2.27 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.661 0.743 . . . . 73.3 110.901 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 129.14 17.11 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.705 2.27 . . . . 63.22 112.327 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.2 m -103.41 -15.89 15.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 74.2 111.118 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -177.99 -170.71 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 74.2 110.881 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.24 -16.52 60.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 42.41 110.854 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.07 38.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.684 -0.769 . . . . 51.12 112.471 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.9 -55.01 16.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 73.5 110.923 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.801 ' HD2' HD23 ' A' ' 69' ' ' LEU . 10.3 mmtt -77.11 -19.97 56.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.881 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.587 ' HG2' HG21 ' A' ' 70' ' ' VAL . 13.2 mtt -80.08 -51.64 8.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 61.34 110.883 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.6 t -56.27 -27.23 54.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 71.03 111.138 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -85.31 -19.91 30.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 75.12 110.884 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 75.3 m -82.84 -26.54 31.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 54.12 110.845 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.83 -37.8 39.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 75.25 110.901 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -17.93 59.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 52.31 110.858 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.31 -35.06 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 72.54 111.111 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 80.3 mt -86.06 -33.14 21.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 73.13 110.928 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.416 ' O ' HG22 ' A' ' 92' ' ' THR . 2.6 mtpt -74.22 -37.81 63.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.5 110.921 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.6 t -81.1 -19.91 42.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.875 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 91' ' ' LEU . 2.3 tp -77.52 -48.75 16.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 71.03 110.904 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.8 t -53.72 -27.54 28.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 62.32 111.114 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.84 -38.49 56.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 75.51 110.9 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.62 -22.94 32.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 74.54 110.874 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.5 tp -78.57 -22.95 46.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 64.43 110.912 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -66.33 -31.65 72.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 63.03 110.925 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -12.52 61.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 75.34 110.842 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -52.17 -24.41 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 71.0 111.141 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.7 p -58.59 -19.81 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.45 111.128 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -88.45 -13.95 39.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 62.33 110.93 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.637 ' C ' HD13 ' A' ' 102' ' ' ILE . 1.3 mp -111.34 -69.61 0.86 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 61.14 110.856 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.637 HD13 ' C ' ' A' ' 101' ' ' LEU . 3.0 mm -121.62 71.97 28.94 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.636 0.732 . . . . 71.14 111.089 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -170.9 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 74.2 112.332 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.0 p -128.16 -170.02 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 65.01 110.887 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.674 HG21 ' CB ' ' A' ' 41' ' ' GLN . 60.8 p -86.47 -178.49 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 75.15 111.129 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.69 -7.32 59.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 62.15 110.834 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.05 -31.94 8.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 75.33 110.833 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.548 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -80.6 -17.0 52.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 52.02 111.064 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.545 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -56.49 -57.56 22.5 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.645 0.736 . . . . 74.31 111.091 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.1 Cg_endo -69.81 -23.82 30.17 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.26 . . . . 63.03 112.364 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.614 HD22 HG12 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -72.33 -60.05 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 74.45 110.9 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.548 HG22 ' O ' ' A' ' 108' ' ' ALA . 10.6 tp -66.41 -25.87 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 75.23 111.141 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.95 -26.12 69.91 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.706 -0.759 . . . . 73.43 112.482 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -84.52 -45.77 12.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.79 0.329 . . . . 71.22 110.877 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -57.24 -42.71 82.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 72.3 110.94 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -63.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 73.41 110.892 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.4 tp -61.67 -26.4 67.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 53.22 110.896 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -52.1 -60.89 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 63.25 110.884 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 54.9 m -58.84 -45.17 90.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.51 111.088 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.27 -32.36 66.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 72.04 110.87 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.74 -23.58 56.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 75.44 110.926 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -80.95 -24.47 38.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 65.32 110.894 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.1 t -58.47 -23.13 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 74.23 111.149 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -69.19 -23.07 63.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 64.33 110.882 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.9 -27.88 46.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 74.52 110.88 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.632 ' HA ' HG21 ' A' ' 19' ' ' VAL . 3.1 m -58.92 -40.68 85.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 71.44 110.89 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.444 ' H ' HD12 ' A' ' 127' ' ' ILE . 1.8 mp -83.86 -38.76 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 53.43 111.105 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -50.44 63.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.904 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 1.066 HD12 HG23 ' A' ' 19' ' ' VAL . 23.3 mt -60.72 -55.28 25.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 64.04 111.108 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.54 ' O ' HG12 ' A' ' 133' ' ' VAL . 0.8 OUTLIER -58.08 -22.53 50.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 63.21 111.121 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -59.98 -18.62 47.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 73.5 110.94 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.0 -28.44 27.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 71.22 110.868 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' ' 130' ' ' THR . 0.5 OUTLIER -63.82 -19.53 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 63.11 111.122 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.6 pp -62.84 -23.17 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 75.14 111.157 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.13 -32.01 33.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 60.21 110.888 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.48 -36.69 11.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 70.31 111.151 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -20.21 66.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 63.21 110.846 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -87.12 -46.23 9.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.872 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -54.55 -73.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.852 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 74.32 110.87 -179.808 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ttm . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.776 0.322 . . . . 74.03 110.874 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.05 145.26 26.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 73.53 111.137 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -147.12 114.88 6.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 74.1 110.843 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -136.89 62.76 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 72.33 110.889 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -82.39 -179.67 7.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 51.22 110.878 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -108.87 48.77 0.84 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 62.42 110.88 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -165.59 161.34 18.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 63.44 110.835 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.627 ' HB3' HD13 ' A' ' 12' ' ' ILE . 24.2 m-70 -130.76 109.07 10.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 74.31 110.832 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.515 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -168.89 -47.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 70.21 111.096 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 29.5 mmt -80.08 -44.51 19.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 62.41 110.918 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.7 t -90.31 -18.98 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 64.43 111.119 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.627 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.3 OUTLIER -83.43 -28.52 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 72.23 111.138 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -74.18 -18.51 60.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 64.23 110.89 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -81.4 -44.39 17.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 61.12 110.865 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.2 mt -53.14 -28.9 15.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 75.3 111.113 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -41.49 74.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 71.44 110.889 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -66.67 -18.87 65.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 64.54 110.861 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 t -76.72 -40.79 47.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 41.02 110.874 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.781 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.11 -27.8 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 53.14 111.124 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.404 ' HA ' HD12 ' A' ' 23' ' ' ILE . 3.8 t80 -80.79 -18.97 45.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 62.44 110.891 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -67.05 -48.58 67.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 70.12 110.892 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -39.31 75.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 52.33 110.878 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 20' ' ' PHE . 85.1 mt -53.42 -35.13 24.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 71.42 111.127 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.7 m -80.84 -53.14 6.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 74.04 110.903 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -54.31 -58.13 8.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 60.34 110.934 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.94 -22.78 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 64.51 111.167 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.32 -25.22 74.93 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.774 -0.727 . . . . 71.34 112.489 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.9 p -92.04 -22.77 19.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.746 0.308 . . . . 72.31 111.152 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -72.58 -37.73 68.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 73.45 110.824 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -18.31 65.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 63.32 110.839 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.7 t -59.93 -20.79 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 63.4 111.133 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.7 -55.12 3.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 73.32 110.869 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.508 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -53.5 -25.97 18.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 74.14 111.057 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.87 -40.55 89.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 52.34 112.501 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.4 -21.59 22.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.364 . . . . 63.04 110.902 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 mp -78.86 -35.56 43.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.882 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mp -76.3 -50.43 22.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 54.24 111.128 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -55.72 -56.31 21.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.891 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mp -51.39 -36.66 44.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.878 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 t -57.13 -39.1 74.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 54.44 110.825 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.514 ' HG3' ' HB2' ' A' ' 108' ' ' ALA . 26.8 mm-40 -85.14 -40.65 16.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 73.55 110.944 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -179.45 -34.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 61.2 110.905 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.22 -27.4 17.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 71.43 112.481 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.47 60.51 0.34 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.746 -0.74 . . . . 64.32 112.487 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.92 -115.18 3.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 63.15 112.507 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.57 95.49 0.15 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.722 . . . . 71.44 112.471 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.18 -140.83 26.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.679 -0.772 . . . . 71.14 112.52 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -97.98 179.13 32.46 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 72.52 112.497 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -10.89 29.66 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.669 2.246 . . . . 64.23 112.344 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.516 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -78.81 -21.97 46.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 64.45 110.925 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -32.99 74.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 74.13 110.897 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -66.71 -35.53 80.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 75.23 110.891 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.523 ' HA ' HG12 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -85.77 -25.96 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 64.55 111.088 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 50' ' ' LEU . 44.2 t -82.9 -28.18 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 53.14 111.128 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -89.36 -24.75 21.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 73.32 110.872 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.523 HG12 ' HA ' ' A' ' 53' ' ' VAL . 5.1 p -88.5 -28.35 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 74.35 111.159 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 35.1 mm -91.3 -25.76 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 72.12 111.143 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.498 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -50.95 -60.31 5.83 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.662 0.744 . . . . 73.13 110.88 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.672 ' HB2' HD22 ' A' ' 91' ' ' LEU . 53.6 Cg_endo -69.7 -34.45 14.74 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 73.03 112.374 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.3 m -63.81 -30.3 71.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 61.44 110.874 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -56.97 -57.64 11.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 71.21 110.915 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -55.47 -25.96 39.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 63.14 110.907 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -84.76 -24.95 28.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 61.24 110.88 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.3 m -60.2 -44.03 95.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 72.53 110.848 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.18 -29.4 70.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 71.34 110.89 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.692 HD13 ' OG ' ' A' ' 84' ' ' SER . 37.8 mt -64.12 -31.98 73.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 63.43 110.912 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.0 m -62.54 -20.74 64.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 61.21 111.145 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -97.27 -12.59 48.23 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.757 -0.735 . . . . 65.1 112.445 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.784 HD23 ' HD2' ' A' ' 80' ' ' LYS . 13.2 tp -89.63 -17.29 28.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 64.01 110.919 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.633 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.5 t -86.79 -32.1 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 42.52 111.136 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -90.08 -7.16 54.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 73.42 110.911 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -93.42 -68.45 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 71.54 110.935 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.11 74.39 21.34 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.639 0.733 . . . . 70.31 110.96 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 129.03 16.89 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.692 2.261 . . . . 42.42 112.319 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.404 ' O ' HG22 ' A' ' 75' ' ' THR . 19.5 m -71.91 -9.26 58.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 55.24 111.128 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -177.86 -169.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 74.02 110.845 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.48 -17.84 56.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 71.23 110.874 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.27 38.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 65.53 112.504 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -70.38 -35.06 73.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.922 0.391 . . . . 64.11 110.906 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.784 ' HD2' HD23 ' A' ' 69' ' ' LEU . 1.1 mmtt -81.08 -33.81 33.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 71.54 110.893 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.633 ' HG2' HG21 ' A' ' 70' ' ' VAL . 6.6 mtm -77.22 -47.45 20.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 71.45 110.927 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.9 t -53.25 -29.66 33.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 61.12 111.149 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -81.62 -29.21 33.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 73.41 110.849 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.692 ' OG ' HD13 ' A' ' 66' ' ' LEU . 4.6 m -77.98 -26.6 48.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 51.12 110.885 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.535 ' HA ' HD12 ' A' ' 88' ' ' LEU . 24.1 ttpt -63.07 -19.99 64.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 74.53 110.916 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.94 -17.92 48.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 63.14 110.86 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.5 t -74.13 -25.56 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 65.43 111.104 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.797 HD11 HG21 ' A' ' 123' ' ' VAL . 2.3 mt -68.62 -35.65 77.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 73.02 110.903 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.491 ' O ' HG22 ' A' ' 92' ' ' THR . 0.0 OUTLIER -77.89 -35.26 51.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.879 179.842 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.2 m -81.32 -19.99 41.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 72.13 110.851 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.672 HD22 ' HB2' ' A' ' 59' ' ' PRO . 2.2 tp -72.88 -46.91 50.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 72.42 110.94 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.3 t -53.7 -27.51 28.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 62.52 111.104 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -35.87 60.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 61.32 110.918 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.56 -23.01 32.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.506 . . . . 73.32 110.925 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.0 tp -78.77 -38.48 38.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 73.54 110.943 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.449 ' O ' HG23 ' A' ' 99' ' ' VAL . 10.8 mttt -65.53 -29.91 70.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.856 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.69 -12.37 61.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.918 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.65 -24.52 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 71.42 111.14 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 96' ' ' LYS . 23.4 t -58.03 -20.28 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 54.24 111.154 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -88.24 -15.94 34.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 63.32 110.894 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.51 -67.35 0.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 63.32 110.901 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.423 ' H ' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -144.61 74.22 15.19 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.599 0.714 . . . . 72.12 111.132 179.869 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 78.67 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.64 2.227 . . . . 62.12 112.352 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.93 -74.46 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 70.13 110.871 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.609 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.8 OUTLIER -55.34 100.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 42.22 111.164 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.0 m -98.25 -33.86 10.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 55.55 110.823 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.33 -31.44 54.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 72.02 110.871 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.514 ' HB2' ' HG3' ' A' ' 41' ' ' GLN . . . -80.36 -17.0 53.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 75.23 111.099 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 105' ' ' THR . 2.1 t -51.75 -57.53 14.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.592 0.711 . . . . 72.1 111.113 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.4 Cg_endo -69.81 -14.56 36.1 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.681 2.254 . . . . 73.33 112.283 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.05 -42.44 16.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 54.03 110.886 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.468 HG22 ' O ' ' A' ' 109' ' ' VAL . 0.9 OUTLIER -56.44 -24.58 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 73.22 111.138 179.858 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -52.18 -27.86 24.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.757 . . . . 60.52 112.551 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -37.69 66.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 73.12 110.922 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.508 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 90.9 m-85 -83.04 -26.01 31.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 75.55 110.958 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.54 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 72.21 110.865 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.96 -25.08 57.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 62.13 110.899 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.05 -30.33 59.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 71.52 110.887 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 123' ' ' VAL . 91.6 m -77.33 -24.87 50.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 62.31 111.181 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.459 ' HG2' HD22 ' A' ' 88' ' ' LEU . 16.8 mtmt -81.97 -49.47 10.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.898 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -58.44 -41.04 84.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 65.22 110.885 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -57.54 -31.77 66.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 73.25 110.859 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.797 HG21 HD11 ' A' ' 88' ' ' LEU . 46.9 t -56.34 -24.65 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 63.01 111.117 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -67.21 -19.98 65.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 71.1 110.869 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 43.3 m -63.87 -35.18 79.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.866 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.0 m -66.91 -55.36 14.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 72.42 110.881 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 28.6 pt -65.15 -24.31 35.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.494 . . . . 65.24 111.155 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -74.1 -54.15 8.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 72.42 110.901 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.781 HD12 HG23 ' A' ' 19' ' ' VAL . 17.2 mt -58.72 -48.66 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 72.13 111.109 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.465 HG21 ' HE1' ' A' ' 81' ' ' MET . 31.9 p -61.0 -22.51 64.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 73.32 111.137 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.22 -18.35 47.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 73.12 110.919 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -84.72 -19.91 31.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 72.21 110.899 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.553 HG21 ' CD1' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.58 -25.67 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 72.21 111.16 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.78 -22.88 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 63.12 111.122 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.86 -24.66 33.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.868 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.07 -43.98 7.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 64.53 111.15 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -60.94 -30.58 70.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 74.33 110.89 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -76.09 -52.05 10.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 64.51 110.881 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -52.0 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.92 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 43.22 110.903 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ptp . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.808 0.337 . . . . 72.21 110.875 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.77 57.29 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 71.22 111.071 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -100.43 -179.44 4.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 61.33 110.842 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -79.3 -176.15 5.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 71.22 110.899 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.585 ' HB2' HG21 ' A' ' 136' ' ' THR . 17.3 m-70 56.61 69.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 71.5 110.832 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -104.46 140.78 37.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 72.21 110.898 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 57.58 94.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 70.24 110.895 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.655 ' HB3' HD13 ' A' ' 12' ' ' ILE . 41.1 m170 -53.86 108.75 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 73.03 110.85 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.514 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -168.61 -50.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 74.34 111.077 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.449 ' HA ' ' HE3' ' A' ' 10' ' ' MET . 8.1 mmm -78.11 -43.88 27.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.868 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -90.21 -19.15 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 71.14 111.14 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.655 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.3 OUTLIER -83.3 -28.42 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 64.32 111.097 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -78.49 -20.05 51.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 71.23 110.872 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.24 -33.3 56.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 71.42 110.866 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.3 mm -65.4 -25.4 36.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 41.25 111.135 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 tt -54.71 -44.82 73.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 63.41 110.9 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -66.78 -18.73 65.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.911 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.79 -40.8 46.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 75.2 110.867 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.765 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.13 -27.8 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 65.44 111.098 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.71 ' HA ' HD12 ' A' ' 23' ' ' ILE . 4.1 t80 -80.79 -19.03 45.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.849 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -67.02 -53.38 31.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 44.51 110.875 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -35.15 79.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 54.04 110.923 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 20' ' ' PHE . 38.5 mt -53.89 -33.49 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 70.23 111.145 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.03 -24.7 37.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 70.33 110.871 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.63 -48.17 14.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.889 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -23.35 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 73.23 111.113 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.94 -26.87 47.83 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 64.31 112.484 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.43 -21.72 20.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 74.44 111.182 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -84.15 -31.8 25.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 72.21 110.873 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 t -69.24 -18.16 63.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 70.32 110.849 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.7 t -69.46 -20.46 24.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 73.13 111.134 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -86.2 -59.2 2.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 72.13 110.886 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.542 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -56.3 -21.58 24.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 61.24 111.06 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -79.58 -37.95 22.13 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.764 -0.731 . . . . 63.43 112.522 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.583 ' O ' HD22 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -87.7 -25.16 23.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.339 . . . . 71.35 110.864 -179.899 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 mp -77.85 -40.17 41.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 75.43 110.901 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 37' ' ' ILE . 21.5 mm -75.17 -54.0 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 54.13 111.145 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -50.89 -54.88 20.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 75.24 110.904 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.583 HD22 ' O ' ' A' ' 35' ' ' ARG . 3.1 mp -49.94 -37.27 31.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 74.41 110.941 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -42.23 98.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 75.3 110.865 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.82 ' HG3' ' HB2' ' A' ' 108' ' ' ALA . 23.9 mm-40 -75.87 -41.54 51.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 72.4 110.936 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -177.7 -35.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 51.24 110.885 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.64 2.46 90.53 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 62.11 112.449 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.2 153.69 7.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 74.4 112.511 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.526 ' CA ' HG21 ' A' ' 102' ' ' ILE . . . 171.32 138.55 2.56 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 73.51 112.498 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.24 -87.79 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 71.12 112.441 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.83 -133.82 0.1 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 71.44 112.464 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -97.86 -178.55 33.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.799 -0.715 . . . . 65.21 112.481 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -10.86 29.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.703 2.269 . . . . 52.43 112.322 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.509 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -80.4 -21.94 41.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 74.12 110.923 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.94 -30.83 26.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 73.02 110.925 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -65.51 -46.22 80.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 65.3 110.877 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.711 HG22 ' CD1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -77.75 -26.09 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 63.51 111.145 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.7 t -79.5 -31.18 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 73.32 111.14 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -89.11 -24.79 22.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 73.23 110.892 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.1 t -85.71 -44.97 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 73.25 111.115 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.711 ' CD1' HG22 ' A' ' 53' ' ' VAL . 69.5 mt -75.16 -22.8 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 72.22 111.156 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.492 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.8 mt-10 -51.48 -60.49 5.76 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.604 0.716 . . . . 75.01 110.857 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.494 ' HB2' HD22 ' A' ' 91' ' ' LEU . 54.0 Cg_endo -69.77 -32.63 18.17 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.683 2.255 . . . . 73.42 112.308 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 63.2 m -64.28 -30.04 71.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 75.42 110.902 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -58.56 7.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 71.14 110.873 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -25.8 40.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 73.45 110.886 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.18 -24.86 29.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 64.22 110.897 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.02 -38.6 62.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 71.34 110.838 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -56.78 -26.78 58.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 62.24 110.875 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.546 HD12 ' HB2' ' A' ' 84' ' ' SER . 9.0 mt -67.13 -34.91 78.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 73.53 110.914 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.5 m -62.65 -19.24 63.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 73.03 111.175 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.44 -14.45 32.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.7 -0.762 . . . . 30.33 112.461 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.795 HD23 ' HD2' ' A' ' 80' ' ' LYS . 10.0 tp -91.06 -8.87 47.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.853 0.359 . . . . 62.25 110.913 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.598 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.08 -31.67 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 60.33 111.103 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -98.44 1.1 46.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 61.23 110.88 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -123.12 -58.19 1.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 71.03 110.91 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.9 tp -113.93 73.04 2.26 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.604 0.716 . . . . 62.42 110.896 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 129.12 17.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 24.01 112.376 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.7 m -103.06 -14.52 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 72.44 111.145 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -177.97 -171.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 74.51 110.877 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -16.78 60.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 73.23 110.839 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.02 39.18 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.754 -0.736 . . . . 61.41 112.497 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -66.65 -64.94 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.935 0.398 . . . . 75.44 110.852 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.795 ' HD2' HD23 ' A' ' 69' ' ' LEU . 4.0 mmtm -64.58 -21.1 66.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 70.43 110.887 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.598 ' HG2' HG21 ' A' ' 70' ' ' VAL . 17.0 mtt -78.96 -60.34 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 73.12 110.87 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.2 t -56.77 -27.66 59.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 64.42 111.148 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -75.71 -20.67 58.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 74.24 110.903 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.546 ' HB2' HD12 ' A' ' 66' ' ' LEU . 1.8 p -83.76 -26.28 29.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 72.31 110.876 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.467 ' HA ' HD12 ' A' ' 88' ' ' LEU . 4.6 tttm -64.72 -44.62 89.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 70.52 110.899 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -17.92 59.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 63.14 110.875 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.6 t -77.73 -23.01 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 53.01 111.158 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.681 HD11 HG21 ' A' ' 123' ' ' VAL . 6.2 mt -85.21 -34.02 22.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 70.5 110.873 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.427 ' O ' HG22 ' A' ' 92' ' ' THR . 0.9 OUTLIER -78.14 -34.31 49.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 73.32 110.912 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 70.1 m -82.52 -20.0 37.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 65.32 110.858 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.494 HD22 ' HB2' ' A' ' 59' ' ' PRO . 3.8 tp -74.78 -47.85 28.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 65.04 110.881 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.4 t -53.29 -27.65 24.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 55.35 111.12 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.21 -35.11 59.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 60.22 110.95 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.6 -23.0 32.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 74.32 110.905 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.5 tp -81.95 -26.16 34.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 74.52 110.945 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.489 ' O ' HG23 ' A' ' 99' ' ' VAL . 11.6 mttt -67.35 -31.8 72.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 62.44 110.861 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -12.66 61.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 70.33 110.873 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.97 -24.58 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 75.22 111.121 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 96' ' ' LYS . 26.9 t -57.56 -21.14 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 74.11 111.11 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -87.35 -18.82 29.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 71.51 110.866 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.785 ' HB3' HD12 ' A' ' 102' ' ' ILE . 0.5 OUTLIER -88.47 -69.33 0.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.912 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.785 HD12 ' HB3' ' A' ' 101' ' ' LEU . 3.8 mp -138.39 74.07 41.79 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.732 . . . . 71.41 111.121 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 88.09 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.675 2.25 . . . . 62.01 112.337 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.6 p -52.85 -73.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 64.14 110.805 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 67.9 p -142.85 154.92 44.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 72.33 111.125 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.0 m -88.22 -13.33 41.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 63.23 110.886 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 70.7 m -75.94 -33.34 59.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 61.41 110.864 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.82 ' HB2' ' HG3' ' A' ' 41' ' ' GLN . . . -81.14 -17.95 48.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 55.31 111.098 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.527 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -52.52 -57.62 14.97 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.721 . . . . 71.43 111.104 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.2 Cg_endo -69.73 -13.51 34.86 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.661 2.241 . . . . 51.3 112.359 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.32 -43.33 16.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 74.53 110.921 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.443 HG22 ' O ' ' A' ' 109' ' ' VAL . 0.4 OUTLIER -57.25 -24.52 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 62.44 111.129 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -59.37 -20.86 52.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 72.2 112.488 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -83.57 -47.02 11.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 74.14 110.927 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.542 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 33.5 m-85 -69.26 -42.15 75.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 71.23 110.909 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 15.1 mtm -58.8 -49.58 77.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 62.23 110.854 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.96 -25.8 67.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 62.12 110.894 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -52.04 -47.03 65.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 72.52 110.869 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 123' ' ' VAL . 48.5 m -70.56 -26.63 63.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 71.54 111.178 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.426 ' HG2' HD13 ' A' ' 88' ' ' LEU . 5.0 mtmt -74.01 -36.78 64.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 75.43 110.911 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.97 -32.61 65.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 72.51 110.861 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -66.23 -27.8 68.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 75.05 110.886 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.681 HG21 HD11 ' A' ' 88' ' ' LEU . 44.1 t -58.93 -26.61 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 75.24 111.108 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.36 -20.6 65.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 72.44 110.905 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.1 t -57.4 -24.29 54.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 45.52 110.926 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 67.7 m -60.41 -49.21 78.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 62.43 110.849 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 38.6 pt -78.73 -27.23 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 71.25 111.156 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -71.09 -40.88 71.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 72.11 110.921 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.765 HD12 HG23 ' A' ' 19' ' ' VAL . 26.8 mt -72.45 -51.4 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.05 111.106 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.523 ' O ' HG12 ' A' ' 133' ' ' VAL . 72.8 p -60.13 -22.59 63.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 70.4 111.126 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -60.02 -18.61 47.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 75.22 110.9 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -29.04 27.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.881 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 130' ' ' THR . 0.5 OUTLIER -60.54 -19.69 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 73.22 111.131 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.7 pp -62.51 -23.13 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 74.21 111.128 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -52.38 -31.28 33.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 64.12 110.921 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.585 HG21 ' HB2' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -90.67 -36.33 14.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 72.41 111.159 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.65 -15.21 62.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 72.04 110.873 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -92.08 -44.46 8.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 65.21 110.829 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.94 -74.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 75.14 110.86 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 72.34 110.846 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.604 ' HB3' HD13 ' A' ' 12' ' ' ILE . 30.2 m-70 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.775 0.321 . . . . 73.32 110.842 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.519 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -168.15 -47.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 45.33 111.088 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 21.1 mmt -80.13 -44.49 19.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 74.13 110.916 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.8 t -90.28 -18.95 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 63.2 111.124 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.604 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.43 -28.5 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 63.04 111.138 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -78.43 -18.03 55.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 73.12 110.846 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.98 -34.52 38.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 70.35 110.839 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.6 mt -55.94 -25.33 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 61.14 111.138 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.469 HD13 ' CD1' ' A' ' 71' ' ' PHE . 15.5 tp -56.18 -36.26 68.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 74.3 110.969 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -61.39 -18.79 60.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 71.41 110.872 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.0 t -76.96 -39.22 51.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 54.45 110.846 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.633 HG23 ' CD1' ' A' ' 129' ' ' ILE . 0.5 OUTLIER -88.19 -28.19 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 71.42 111.094 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.518 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.86 -19.02 45.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 72.23 110.893 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -69.21 -54.93 12.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 74.21 110.867 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -34.43 78.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 51.22 110.944 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' A' ' 20' ' ' PHE . 23.9 mt -52.92 -32.82 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 74.24 111.134 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.5 m -80.76 -28.64 36.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 74.02 110.866 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.409 ' O ' HG22 ' A' ' 28' ' ' THR . 3.8 tttm -76.08 -58.98 2.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.915 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.0 tt -59.36 -26.56 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 62.23 111.128 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.504 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -60.23 -38.88 95.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 32.34 112.466 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 25' ' ' LYS . 8.8 t -91.4 -23.65 19.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 74.04 111.152 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.02 -32.13 66.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 62.22 110.895 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 t -74.07 -34.25 63.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 63.33 110.866 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 27' ' ' GLY . 29.7 t -62.09 -20.46 24.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 75.54 111.17 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -86.14 -59.21 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 71.32 110.87 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.42 ' HB1' ' CE1' ' A' ' 115' ' ' TYR . . . -56.98 -21.84 33.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 73.13 111.108 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.25 -38.74 24.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 41.12 112.495 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.44 -23.91 23.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 73.12 110.873 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -76.75 -39.5 51.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 54.31 110.932 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mp -73.69 -40.64 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 75.2 111.095 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -65.09 -58.96 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 71.12 110.918 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 mp -50.72 -36.07 34.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 74.02 110.936 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.2 m -58.22 -38.16 76.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 73.03 110.869 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.543 ' CD ' ' HB2' ' A' ' 108' ' ' ALA . 1.8 mt-30 -83.23 -39.6 20.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 70.21 110.901 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -179.61 -34.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 33.2 110.883 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.87 9.74 75.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 44.01 112.473 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.17 151.49 7.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.807 -0.711 . . . . 60.44 112.505 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 156.99 147.17 4.69 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 74.53 112.473 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.781 ' HA3' HG21 ' A' ' 102' ' ' ILE . . . -76.97 -78.58 0.73 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.795 -0.717 . . . . 64.04 112.476 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.28 172.22 0.35 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 64.11 112.486 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -90.24 -178.82 44.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.693 -0.765 . . . . 63.52 112.504 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -10.69 29.19 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.67 2.247 . . . . 64.42 112.381 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.516 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -81.02 -22.05 39.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 75.21 110.879 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -75.86 -31.69 59.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 73.43 110.933 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.416 ' HE2' HG22 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -63.07 -35.62 80.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 72.45 110.874 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.714 HG22 ' CD1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -87.5 -26.16 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 74.12 111.118 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 50' ' ' LEU . 24.5 t -78.96 -30.24 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 74.24 111.128 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.23 -24.76 22.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 72.1 110.91 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 t -86.54 -44.39 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 63.1 111.114 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.714 ' CD1' HG22 ' A' ' 53' ' ' VAL . 69.6 mt -75.08 -23.26 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 73.2 111.099 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.493 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -51.79 -60.52 5.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.605 0.717 . . . . 74.31 110.907 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.569 ' CG ' HD22 ' A' ' 91' ' ' LEU . 53.8 Cg_endo -69.74 -32.76 18.04 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.727 2.285 . . . . 63.41 112.297 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 57.8 m -64.13 -29.98 71.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 74.24 110.892 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.82 -59.26 5.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 53.43 110.912 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -55.69 -25.7 41.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 74.43 110.862 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.497 ' HD1' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -83.66 -24.87 31.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 75.21 110.867 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.95 -35.14 63.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 71.24 110.899 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.31 -23.26 67.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 74.4 110.866 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.497 HD12 ' HD1' ' A' ' 63' ' ' PHE . 15.9 mt -66.42 -34.88 78.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 72.24 110.936 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.2 p -62.79 -16.86 59.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 65.35 111.132 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.63 -14.61 29.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 50.13 112.468 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.757 HD23 ' HD2' ' A' ' 80' ' ' LYS . 9.7 tp -91.07 -11.1 39.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.894 0.378 . . . . 70.12 110.935 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.722 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.08 -31.82 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 73.31 111.104 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.469 ' CD1' HD13 ' A' ' 16' ' ' LEU . 38.7 m-85 -96.52 0.98 50.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 74.41 110.911 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -124.23 -56.08 1.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 71.21 110.951 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.412 HD12 HD11 ' A' ' 69' ' ' LEU . 87.0 mt -114.03 72.67 2.26 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.575 0.702 . . . . 62.32 110.909 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 129.25 17.24 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.68 2.253 . . . . 64.31 112.321 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.8 m -111.4 -15.82 13.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 74.35 111.138 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -177.81 -172.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.14 110.875 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -62.96 -16.73 60.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.872 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.93 39.36 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 73.35 112.458 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.531 ' O ' HG22 ' A' ' 82' ' ' THR . 5.4 mm-40 -61.84 -53.48 55.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.89 0.376 . . . . 74.04 110.861 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.757 ' HD2' HD23 ' A' ' 69' ' ' LEU . 7.2 mmtp -80.97 -20.05 42.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 75.12 110.94 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.722 ' HG2' HG21 ' A' ' 70' ' ' VAL . 14.8 mtt -76.8 -40.19 48.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 75.51 110.872 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 79' ' ' GLU . 2.1 t -57.21 -25.92 59.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 62.25 111.133 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.733 ' O ' HG23 ' A' ' 87' ' ' VAL . 1.3 mt-10 -80.11 -20.03 45.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 64.52 110.896 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.8 m -73.48 -26.24 60.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 63.4 110.872 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -82.16 -20.97 36.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 74.54 110.921 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 43.3 t -87.02 -17.99 31.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 72.41 110.823 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 83' ' ' GLU . 77.9 t -80.69 -29.98 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 52.43 111.101 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.626 ' CD1' HG21 ' A' ' 123' ' ' VAL . 20.4 mt -86.03 -32.93 21.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 73.31 110.937 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.476 ' O ' HG22 ' A' ' 92' ' ' THR . 0.3 OUTLIER -78.36 -35.12 47.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.906 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.7 p -80.91 -20.07 42.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 65.21 110.845 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.569 HD22 ' CG ' ' A' ' 59' ' ' PRO . 2.1 tp -73.34 -47.73 40.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 65.52 110.934 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.476 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.3 t -53.63 -27.52 27.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 63.25 111.142 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -52.02 -39.13 59.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 75.23 110.904 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.6 -22.92 32.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 71.55 110.927 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.43 -23.01 43.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 73.14 110.909 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.466 ' O ' HG22 ' A' ' 99' ' ' VAL . 13.1 mmtt -72.75 -33.83 66.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 64.31 110.914 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -12.44 61.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 64.43 110.902 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.93 -24.44 4.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 72.31 111.15 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 96' ' ' LYS . 6.8 m -58.19 -20.14 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 73.04 111.11 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -88.34 -16.26 33.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 64.23 110.878 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.7 -65.98 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.876 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.781 HG21 ' HA3' ' A' ' 46' ' ' GLY . 1.0 OUTLIER -144.71 74.23 15.01 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.683 0.754 . . . . 73.52 111.152 179.866 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 144.55 54.32 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.663 2.242 . . . . 72.33 112.307 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.76 136.72 3.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 52.21 110.843 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.521 HG21 ' HB2' ' A' ' 41' ' ' GLN . 0.2 OUTLIER 59.52 98.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 75.53 111.135 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.9 t -81.01 -11.61 59.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.32 110.85 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.7 m -84.74 -31.62 23.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 63.33 110.841 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.543 ' HB2' ' CD ' ' A' ' 41' ' ' GLN . . . -80.18 -16.96 53.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 45.23 111.076 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.54 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -56.83 -57.53 23.5 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.719 . . . . 64.12 111.154 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.8 Cg_endo -69.77 -18.97 36.64 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.666 2.244 . . . . 65.42 112.319 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.66 -54.51 7.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 62.44 110.908 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 37.8 pt -57.03 -24.23 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 75.32 111.132 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -52.93 -32.18 41.05 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 73.04 112.486 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -78.36 -28.49 47.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 75.44 110.943 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.42 ' CE1' ' HB1' ' A' ' 33' ' ' ALA . 10.3 m-85 -80.92 -33.34 34.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 64.22 110.946 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 7.6 mtm -65.59 -55.25 18.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 73.4 110.837 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -27.26 69.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 75.15 110.878 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -52.03 -54.41 30.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 74.11 110.918 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.471 ' O ' HG23 ' A' ' 123' ' ' VAL . 2.1 m -61.91 -31.37 71.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 63.15 111.101 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.07 -35.04 69.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 73.02 110.88 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -69.83 -43.44 71.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 73.21 110.865 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -55.32 -30.85 61.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.931 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.626 HG21 ' CD1' ' A' ' 88' ' ' LEU . 39.6 t -56.44 -24.62 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.504 . . . . 72.53 111.131 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.416 ' O ' HD12 ' A' ' 127' ' ' ILE . 23.9 tt0 -60.87 -20.19 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 71.45 110.911 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 28.0 p -52.25 -30.0 25.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.854 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.5 t -54.28 -40.59 67.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 75.41 110.848 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.43 ' H ' HD12 ' A' ' 127' ' ' ILE . 1.9 mp -83.91 -40.56 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 65.22 111.089 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -31.76 62.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 74.33 110.867 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.633 ' CD1' HG23 ' A' ' 19' ' ' VAL . 6.9 mt -78.28 -50.54 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 74.44 111.143 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 58.6 p -59.75 -22.53 62.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 75.2 111.119 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.18 -18.42 47.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 70.23 110.857 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -84.66 -19.89 32.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 71.43 110.862 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.51 -25.58 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 72.04 111.099 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -78.17 -22.81 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 74.24 111.107 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.52 -22.91 32.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 54.52 110.913 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.17 -34.34 11.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 74.13 111.083 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -69.71 -45.73 67.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 71.04 110.879 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.55 -17.92 61.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 74.32 110.841 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.21 -33.83 14.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 74.15 110.867 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 11.4 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 71.33 110.9 -179.839 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.844 0.354 . . . . 65.55 110.899 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.51 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -172.51 -47.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 65.14 111.086 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -44.64 19.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 73.23 110.879 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.6 m -90.21 -19.02 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 61.53 111.137 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.51 HG22 ' CA ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -83.42 -28.52 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 71.22 111.119 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.88 -21.15 61.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 72.21 110.845 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -76.96 -47.78 19.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 74.21 110.855 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.1 mt -56.07 -24.99 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 74.34 111.145 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.777 HD12 ' HB2' ' A' ' 71' ' ' PHE . 4.5 tt -54.04 -45.12 71.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 61.24 110.914 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -18.81 65.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 74.52 110.902 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.71 -40.41 48.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 72.24 110.873 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.05 -27.76 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 73.21 111.135 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.612 ' HA ' HD12 ' A' ' 23' ' ' ILE . 2.5 t80 -80.9 -18.93 45.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 70.04 110.851 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.3 -51.91 39.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 55.33 110.861 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -32.7 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.862 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 20' ' ' PHE . 41.7 mt -55.22 -33.67 31.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 75.11 111.094 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -80.94 -60.93 2.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 71.12 110.936 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -51.95 -59.02 4.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 72.14 110.896 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.51 -24.46 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 75.12 111.111 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.615 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -53.41 -30.01 40.0 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.732 . . . . 70.44 112.478 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.4 p -92.04 -20.96 20.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 73.2 111.145 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -69.26 -34.11 74.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 71.3 110.858 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.9 m -80.18 -22.09 42.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 63.42 110.884 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 27' ' ' GLY . 58.3 t -72.86 -20.5 19.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 42.25 111.089 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -86.78 -54.87 4.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 53.52 110.892 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.647 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -56.21 -21.88 25.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 52.31 111.093 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.78 -40.39 26.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 63.41 112.483 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -88.45 -19.98 25.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.91 0.386 . . . . 71.05 110.865 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -80.81 -38.72 27.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 73.13 110.961 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mp -72.87 -44.7 57.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 70.52 111.145 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.64 -58.9 6.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 61.42 110.87 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.1 mp -51.17 -36.35 40.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 75.21 110.978 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 m -58.38 -38.18 76.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 64.52 110.877 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.434 ' OE1' ' HB2' ' A' ' 108' ' ' ALA . 1.8 mt-30 -84.1 -39.25 19.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 72.31 110.896 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -179.43 -34.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 63.53 110.897 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.68 4.27 89.29 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 74.32 112.481 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.88 121.42 19.23 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 70.22 112.512 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.71 172.82 40.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 54.11 112.508 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.782 ' HA3' HD13 ' A' ' 102' ' ' ILE . . . -78.47 145.14 28.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 61.52 112.477 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.16 -142.32 23.38 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.808 -0.71 . . . . 73.15 112.49 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.81 -178.77 22.9 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 62.12 112.488 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -10.77 29.37 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.259 . . . . 53.5 112.348 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.518 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -80.73 -22.2 40.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 74.2 110.926 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -67.48 -31.21 71.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 62.42 110.9 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -60.34 -53.03 62.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 73.12 110.914 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.8 m -67.12 -31.69 54.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 65.41 111.131 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.3 t -70.92 -42.78 77.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 72.3 111.13 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.11 -24.51 40.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 73.02 110.888 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.0 t -84.02 -45.98 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 65.44 111.09 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 84.5 mt -75.77 -21.95 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 71.34 111.125 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.498 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 3.0 mt-10 -50.6 -60.28 5.72 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.631 0.729 . . . . 72.35 110.918 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.566 ' CG ' HD22 ' A' ' 91' ' ' LEU . 53.6 Cg_endo -69.74 -31.21 21.04 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.722 2.281 . . . . 73.12 112.309 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 68.1 m -64.54 -32.07 73.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 55.22 110.899 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -56.08 -59.83 4.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 65.25 110.881 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -25.51 41.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 54.14 110.926 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.511 ' HD1' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -83.12 -24.83 32.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 72.22 110.875 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 61.5 m -53.72 -32.91 53.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 63.23 110.859 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -58.2 -24.04 57.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 65.42 110.892 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.511 HD12 ' HD1' ' A' ' 63' ' ' PHE . 21.8 mt -68.27 -33.75 74.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 64.21 110.877 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.7 p -69.16 -11.3 60.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.33 111.127 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -105.27 -16.58 15.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.802 -0.713 . . . . 75.13 112.467 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.07 -9.97 43.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.826 0.346 . . . . 73.54 110.911 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t -95.01 -44.13 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 74.55 111.119 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.777 ' HB2' HD12 ' A' ' 16' ' ' LEU . 74.5 m-85 -83.07 1.01 42.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 75.33 110.888 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -120.23 -67.62 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 72.14 110.925 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tt -124.55 74.31 62.22 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.63 0.729 . . . . 60.24 110.904 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 129.3 17.34 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.704 2.269 . . . . 43.43 112.337 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.6 m -93.01 -16.51 24.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 73.25 111.104 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -177.65 -172.91 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 75.21 110.828 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -16.84 61.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.855 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.49 39.08 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.763 -0.732 . . . . 74.54 112.541 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.549 ' O ' HG22 ' A' ' 82' ' ' THR . 2.0 mm-40 -60.65 -55.2 36.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.899 0.381 . . . . 50.34 110.914 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.485 ' O ' HD13 ' A' ' 66' ' ' LEU . 4.2 mmtt -81.0 -19.99 42.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 71.34 110.874 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.7 mtt -75.78 -39.0 57.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 53.4 110.848 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 79' ' ' GLU . 2.3 t -59.19 -20.98 58.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 71.25 111.15 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.617 ' O ' HG23 ' A' ' 87' ' ' VAL . 24.2 mt-10 -78.52 -22.45 47.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 64.35 110.852 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.1 t -73.99 -27.25 60.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 65.15 110.826 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -62.66 -31.64 72.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 63.53 110.914 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.99 -18.0 31.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 62.01 110.884 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 83' ' ' GLU . 90.0 t -76.67 -31.97 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 71.05 111.152 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 18.4 mt -86.01 -33.58 21.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 75.02 110.938 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.453 ' O ' HG22 ' A' ' 92' ' ' THR . 9.5 mmmt -76.06 -36.67 58.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 71.21 110.898 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.6 t -80.92 -20.01 43.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 75.14 110.862 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.566 HD22 ' CG ' ' A' ' 59' ' ' PRO . 2.2 tp -75.44 -48.41 22.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 74.5 110.934 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.453 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.6 t -53.69 -27.55 28.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 54.44 111.124 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -53.24 -35.06 59.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 75.02 110.868 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -83.56 -22.98 32.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 62.14 110.91 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.7 tp -83.08 -22.91 33.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 71.45 110.916 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.432 ' O ' HG23 ' A' ' 99' ' ' VAL . 3.2 mmtm -79.49 -35.3 40.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 72.13 110.905 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -12.24 61.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 74.43 110.907 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.67 -24.58 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 73.33 111.13 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 96' ' ' LYS . 24.0 t -57.81 -20.53 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 73.34 111.157 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -87.23 -16.76 34.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 71.21 110.897 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.803 ' HB3' HD12 ' A' ' 102' ' ' ILE . 0.8 OUTLIER -94.06 -68.53 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 52.23 110.92 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.803 HD12 ' HB3' ' A' ' 101' ' ' LEU . 4.2 mp -135.81 74.25 58.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.684 0.754 . . . . 72.35 111.165 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 164.18 35.46 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.718 2.279 . . . . 73.02 112.369 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.8 t -142.9 -74.52 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 34.2 110.81 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.02 151.85 51.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 53.02 111.175 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.0 t -93.9 -8.07 41.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 65.44 110.888 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.17 -31.29 49.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 63.31 110.861 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.434 ' HB2' ' OE1' ' A' ' 41' ' ' GLN . . . -79.81 -16.98 54.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 32.02 111.133 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.537 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -54.63 -57.6 18.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.612 0.72 . . . . 61.0 111.137 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.4 Cg_endo -69.82 -31.36 20.41 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.63 2.22 . . . . 54.03 112.327 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.07 -60.46 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 73.25 110.93 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 11.5 tt -55.55 -25.64 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 64.55 111.113 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.77 -22.06 65.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 62.33 112.465 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.97 -33.39 26.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 71.11 110.895 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.647 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -73.62 -27.86 61.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 74.21 110.9 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 47.3 mtm -62.49 -53.2 58.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 72.14 110.857 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.1 -25.35 45.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.941 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -52.05 -30.09 24.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 53.13 110.877 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 3.7 m -85.77 -30.15 23.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 73.44 111.185 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -47.54 78.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 71.52 110.869 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -71.76 -16.99 62.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 64.11 110.898 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -67.43 -26.34 66.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 71.55 110.914 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -85.16 -22.74 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 60.13 111.149 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.611 ' O ' HD12 ' A' ' 127' ' ' ILE . 5.3 tp10 -53.8 -27.82 31.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.22 110.898 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -20.03 58.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 61.54 110.869 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 50.7 m -61.4 -35.18 76.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 75.23 110.86 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 124' ' ' GLU . 1.8 mp -81.5 -51.27 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 73.35 111.127 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -30.08 23.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 71.22 110.927 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 23.0 mt -77.26 -43.1 31.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 72.41 111.138 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.539 ' O ' HG12 ' A' ' 133' ' ' VAL . 0.6 OUTLIER -71.41 -22.54 61.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 70.11 111.151 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.02 -18.67 47.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 61.55 110.889 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -83.67 -31.88 25.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 71.14 110.919 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 130' ' ' THR . 0.5 OUTLIER -60.54 -19.52 19.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 51.23 111.115 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.7 pp -58.97 -23.22 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 74.1 111.166 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.66 -32.78 67.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 75.52 110.933 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.75 -43.69 12.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 74.32 111.159 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.86 -29.91 69.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 74.53 110.855 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -76.58 -41.28 46.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 62.43 110.825 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -52.46 -73.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 72.03 110.855 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 63.21 110.87 -179.779 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.534 ' CB ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.82 0.343 . . . . 73.44 110.837 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.499 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -169.98 -47.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 63.22 111.127 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 25.4 mmt -80.09 -44.59 19.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 71.03 110.926 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.3 m -90.29 -18.92 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 73.23 111.099 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.654 ' CD1' HG21 ' A' ' 133' ' ' VAL . 0.3 OUTLIER -83.45 -28.44 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.21 111.127 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -37.55 83.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.855 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -68.9 -24.57 64.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 62.54 110.845 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.9 mt -70.59 -25.0 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 64.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.463 HD12 ' O ' ' A' ' 16' ' ' LEU . 10.5 tp -55.67 -36.98 67.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 53.21 110.923 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -65.05 -18.91 65.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 72.35 110.929 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.3 m -77.35 -39.62 46.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 64.23 110.86 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.071 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.04 -27.89 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 64.32 111.103 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.801 ' HA ' HD12 ' A' ' 23' ' ' ILE . 1.9 t80 -80.94 -19.0 45.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 73.54 110.866 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -69.83 -49.28 54.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 72.51 110.855 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -51.47 -45.2 62.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 71.4 110.887 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.801 HD12 ' HA ' ' A' ' 20' ' ' PHE . 14.4 mt -52.73 -37.52 25.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 74.15 111.153 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 66.4 m -81.05 -22.16 39.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 73.3 110.888 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' O ' HG22 ' A' ' 28' ' ' THR . 0.0 OUTLIER -80.13 -59.03 2.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 65.31 110.899 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.442 HG21 ' CE2' ' A' ' 122' ' ' PHE . 1.1 pt -56.35 -24.65 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 61.12 111.167 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.515 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -71.2 -16.04 74.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.715 -0.755 . . . . 55.33 112.486 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -84.31 -25.13 29.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 73.51 111.165 -179.864 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -83.59 -40.67 18.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 61.22 110.881 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -18.02 59.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 74.03 110.89 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 27' ' ' GLY . 58.3 t -59.64 -20.51 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 71.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.74 -56.54 3.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 75.2 110.886 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.601 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -56.04 -23.42 33.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 72.41 111.086 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.72 -40.81 44.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 34.03 112.456 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.492 ' O ' HD13 ' A' ' 39' ' ' LEU . 26.0 mmm-85 -88.77 -21.77 23.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 72.44 110.865 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 mp -78.81 -36.18 43.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 73.24 110.927 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.7 HG13 HD13 ' A' ' 111' ' ' LEU . 1.0 OUTLIER -73.16 -40.13 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 74.14 111.138 179.805 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.88 -45.8 63.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 75.54 110.894 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 35' ' ' ARG . 1.5 mp -51.85 -30.97 25.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 73.42 110.916 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.46 -35.26 54.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 61.1 110.852 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.634 ' NE2' ' HB2' ' A' ' 108' ' ' ALA . 47.8 mm-40 -51.02 103.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 73.13 110.895 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.92 14.17 3.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 72.2 110.873 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.7 -31.94 14.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 62.51 112.498 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -134.42 -105.75 0.88 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 61.12 112.52 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 144.93 116.8 1.08 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.676 -0.773 . . . . 73.04 112.479 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -136.02 -139.43 3.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.729 . . . . 72.03 112.522 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.64 -170.89 0.44 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.733 -0.746 . . . . 35.2 112.49 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.77 -164.98 27.06 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 64.31 112.468 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -9.99 27.5 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 72.02 112.386 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 mt -73.37 -26.1 60.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 75.44 110.948 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -32.74 70.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 74.1 110.92 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.81 -46.6 81.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 63.42 110.905 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 52.4 t -76.97 -28.13 16.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 73.23 111.114 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 t -77.3 -31.36 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 60.51 111.13 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.409 HD22 ' N ' ' A' ' 55' ' ' ASN . 1.6 m-80 -89.04 -24.86 22.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 75.11 110.909 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.1 t -85.72 -44.81 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 65.24 111.132 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.8 mm -75.4 -22.57 16.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 63.41 111.105 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.494 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.6 -60.51 5.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.667 0.746 . . . . 72.33 110.916 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.635 ' HB3' HD21 ' A' ' 91' ' ' LEU . 54.2 Cg_endo -69.77 -26.66 27.29 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.659 2.239 . . . . 43.24 112.341 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.53 -41.22 76.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 75.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.36 -57.92 8.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 72.43 110.928 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -55.78 -25.51 41.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 73.52 110.9 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.553 ' CD2' HD12 ' A' ' 66' ' ' LEU . 7.2 t80 -83.89 -24.88 30.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 75.21 110.928 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -41.2 76.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 74.24 110.865 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.61 -27.96 68.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.102 -0.499 . . . . 63.35 110.86 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.719 HD13 ' OG ' ' A' ' 84' ' ' SER . 39.0 mt -67.85 -38.69 83.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 73.53 110.947 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.5 p -62.99 -16.25 59.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 72.11 111.133 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.02 -13.5 36.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.765 -0.731 . . . . 54.32 112.512 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.775 HD23 ' HD2' ' A' ' 80' ' ' LYS . 8.8 tp -91.02 -11.91 37.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 62.42 110.931 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.721 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.8 t -95.07 -31.85 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 73.34 111.114 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -96.33 1.07 51.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 71.33 110.892 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -126.85 -47.92 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 71.22 110.872 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.6 tp -117.77 68.26 6.11 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.664 0.745 . . . . 72.23 110.899 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 129.33 17.44 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.653 2.235 . . . . 64.44 112.391 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.8 m -108.9 -14.47 14.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 73.14 111.152 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -178.07 -170.81 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 51.31 110.855 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 59.6 p -63.27 -16.5 60.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 65.0 110.832 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.35 38.59 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 74.32 112.466 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.33 -70.07 0.26 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.895 0.379 . . . . 74.05 110.895 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.775 ' HD2' HD23 ' A' ' 69' ' ' LEU . 9.9 mmtt -56.46 -28.56 59.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 75.14 110.938 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.721 ' HG2' HG21 ' A' ' 70' ' ' VAL . 13.0 mtt -72.09 -61.03 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 62.0 110.91 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 t -61.86 -26.88 68.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 71.34 111.128 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -78.08 -20.31 52.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 53.1 110.873 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.719 ' OG ' HD13 ' A' ' 66' ' ' LEU . 34.5 m -84.27 -27.62 27.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 73.53 110.856 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.514 ' HA ' HD12 ' A' ' 88' ' ' LEU . 2.2 tttt -65.1 -20.01 66.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 52.01 110.879 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.86 -17.93 49.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 73.14 110.851 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.8 t -79.2 -34.39 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 74.04 111.115 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.611 HD11 HG21 ' A' ' 123' ' ' VAL . 4.0 mt -69.42 -18.97 63.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 63.12 110.956 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -84.05 -38.2 21.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 73.03 110.871 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.21 -19.94 27.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 55.42 110.867 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.635 HD21 ' HB3' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -77.58 -43.73 30.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 74.34 110.891 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.9 t -54.15 -26.98 30.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 74.12 111.135 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -55.54 -26.05 41.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 74.41 110.894 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.76 -25.87 32.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 73.14 110.934 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.551 HD13 ' SD ' ' A' ' 116' ' ' MET . 0.2 OUTLIER -83.08 -27.71 30.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 74.3 110.896 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -65.72 -31.07 71.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 75.13 110.891 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -12.61 61.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 70.41 110.88 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.97 -24.23 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 73.42 111.136 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.503 HG22 ' HB3' ' A' ' 103' ' ' PRO . 0.5 OUTLIER -58.12 -20.29 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 72.34 111.079 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -86.9 -16.45 35.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 73.02 110.891 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.769 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -92.58 -66.92 0.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 64.41 110.94 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.769 HD12 ' HB3' ' A' ' 101' ' ' LEU . 4.0 mp -138.73 74.18 39.28 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.712 . . . . 64.13 111.088 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.503 ' HB3' HG22 ' A' ' 99' ' ' VAL . 53.2 Cg_endo -69.77 88.86 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.653 2.236 . . . . 72.55 112.298 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 63.9 p -58.78 -176.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 61.24 110.859 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.9 p -62.42 -171.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 72.31 111.168 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 52.0 m -88.59 7.17 34.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 71.4 110.877 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.624 ' O ' HD12 ' A' ' 111' ' ' LEU . 5.7 m -96.94 -40.68 8.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 71.53 110.862 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.634 ' HB2' ' NE2' ' A' ' 41' ' ' GLN . . . -79.86 -24.42 41.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 61.31 111.101 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.541 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -59.27 -57.53 26.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 71.42 111.117 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.2 Cg_endo -69.79 -19.34 36.13 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.663 2.242 . . . . 74.23 112.312 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.7 HD13 HG13 ' A' ' 37' ' ' ILE . 2.3 mt -78.04 -58.53 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 74.43 110.953 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 7.4 tt -58.73 -24.47 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 75.53 111.082 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.75 -28.88 70.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 42.31 112.427 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -71.13 -44.28 65.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.806 0.336 . . . . 63.41 110.946 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.601 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 24.7 m-85 -76.26 -18.99 58.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 74.25 110.924 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.551 ' SD ' HD13 ' A' ' 95' ' ' LEU . 2.5 mtp -69.76 -43.04 73.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 73.51 110.91 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.0 -25.05 37.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.909 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -52.05 -44.87 64.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 75.42 110.887 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.479 ' O ' HG23 ' A' ' 123' ' ' VAL . 4.6 m -68.84 -24.93 64.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 73.35 111.1 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -81.1 -36.67 30.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 73.43 110.891 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.15 -42.68 68.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 74.5 110.856 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.442 ' CE2' HG21 ' A' ' 26' ' ' ILE . 1.8 t80 -59.19 -21.72 59.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 74.31 110.89 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.611 HG21 HD11 ' A' ' 88' ' ' LEU . 79.5 t -55.85 -25.41 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.484 . . . . 73.25 111.171 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -66.96 -20.04 65.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 74.33 110.867 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.7 t -56.47 -25.09 49.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 74.21 110.874 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.476 ' HA ' HG21 ' A' ' 19' ' ' VAL . 32.4 m -57.06 -56.49 21.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 75.02 110.875 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 27.2 pt -69.4 -25.93 30.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 53.43 111.163 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -68.93 -58.04 4.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 71.24 110.953 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 1.071 HD12 HG23 ' A' ' 19' ' ' VAL . 57.1 mt -61.19 -49.16 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 71.53 111.158 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 126' ' ' SER . 73.9 p -58.05 -22.46 50.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 71.43 111.202 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -18.6 47.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 74.02 110.891 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -82.61 -20.95 35.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.862 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.654 HG21 ' CD1' ' A' ' 12' ' ' ILE . 1.5 p -57.43 -23.34 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 71.1 111.142 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.8 pp -59.75 -23.56 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 75.43 111.138 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -33.55 66.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 73.42 110.907 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.05 -35.08 29.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 75.43 111.141 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -71.97 -17.62 62.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 70.12 110.88 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -88.46 -42.31 12.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 71.42 110.821 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -52.58 -69.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 70.33 110.875 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.831 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.736 ' HB3' HD13 ' A' ' 12' ' ' ILE . 3.4 m80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.839 0.352 . . . . 74.02 110.863 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.504 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -172.39 -47.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 74.02 111.112 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.402 ' CE ' ' HB3' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -80.3 -44.58 19.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 75.13 110.845 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.4 m -90.29 -18.96 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 64.3 111.132 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.736 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.43 -28.56 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 70.1 111.139 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -52.23 -30.15 26.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 73.33 110.899 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -74.49 -35.6 63.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 61.5 110.857 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.8 mt -62.0 -25.2 36.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 74.15 111.093 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.441 HD12 ' HB2' ' A' ' 71' ' ' PHE . 2.7 tt -56.83 -31.91 65.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 75.03 110.922 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -66.74 -18.76 65.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 74.13 110.887 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.7 -40.81 47.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 62.43 110.902 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.625 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.14 -27.81 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 74.04 111.093 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.736 ' HA ' HD12 ' A' ' 23' ' ' ILE . 4.0 t80 -80.74 -19.04 45.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 72.2 110.919 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.04 -55.15 15.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 73.21 110.887 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -39.66 70.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 74.32 110.914 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 20' ' ' PHE . 83.5 mt -53.26 -34.55 22.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 64.1 111.114 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.9 m -80.59 -24.7 38.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 72.54 110.878 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -80.27 -58.22 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 71.04 110.924 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.7 tt -52.0 -29.69 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 73.14 111.123 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.63 -39.51 95.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 63.21 112.472 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.4 p -91.28 -26.33 19.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.729 0.3 . . . . 75.25 111.122 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -73.34 -33.94 65.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 74.42 110.86 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -71.04 -18.48 62.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 54.11 110.877 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.3 t -59.8 -20.52 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 51.15 111.117 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -86.75 -55.55 3.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 72.53 110.936 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.596 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -56.1 -22.65 29.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 60.14 111.105 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.49 -40.62 32.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 72.41 112.498 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -88.56 -20.21 25.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 73.32 110.852 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -80.21 -38.36 31.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 73.53 110.93 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mp -73.4 -48.04 43.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 70.23 111.135 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.89 -58.2 9.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 72.35 110.903 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.6 mp -51.32 -36.06 40.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 64.54 110.906 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.47 -38.07 68.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 71.21 110.88 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.663 ' HG3' ' HB2' ' A' ' 108' ' ' ALA . 22.9 mm-40 -84.74 -39.83 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 65.31 110.927 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -179.58 -34.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 72.42 110.903 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.39 -1.72 84.51 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 75.52 112.527 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.1 164.54 54.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 64.31 112.479 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 175.42 -176.42 47.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 70.24 112.486 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -103.21 -71.95 0.9 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 53.11 112.472 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.7 -165.3 0.36 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 72.21 112.495 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.84 -177.79 38.0 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 64.43 112.464 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -10.7 29.17 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.258 . . . . 73.43 112.372 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.517 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -81.23 -22.02 39.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 71.14 110.887 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.442 ' OH ' HD11 ' A' ' 98' ' ' ILE . 6.7 t80 -62.62 -27.27 69.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 73.52 110.929 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -62.89 -52.71 62.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 74.32 110.882 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.549 ' HA ' HG12 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -78.38 -26.7 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 45.35 111.145 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.1 t -71.19 -31.74 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 62.44 111.159 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -89.45 -24.27 21.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 64.13 110.93 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.549 HG12 ' HA ' ' A' ' 53' ' ' VAL . 0.5 OUTLIER -88.08 -27.62 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 61.14 111.179 179.867 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.0 mm -91.87 -25.72 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 74.21 111.13 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.498 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -50.88 -60.34 5.72 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.713 0.768 . . . . 73.34 110.898 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.615 ' HB3' HD21 ' A' ' 91' ' ' LEU . 53.9 Cg_endo -69.76 -34.39 14.66 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.691 2.26 . . . . 71.52 112.371 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.3 m -64.04 -32.68 74.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 64.41 110.9 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.04 -59.08 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 72.21 110.901 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -55.83 -25.31 41.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 72.45 110.889 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.601 ' CG ' HD12 ' A' ' 66' ' ' LEU . 4.5 t80 -83.84 -24.93 30.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.25 110.903 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.84 -40.69 73.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.507 . . . . 75.53 110.843 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -63.35 -27.12 69.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 73.21 110.91 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.638 HD13 ' OG ' ' A' ' 84' ' ' SER . 50.4 mt -66.31 -36.48 83.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 65.22 110.941 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.7 p -62.9 -16.31 58.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 61.12 111.175 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.44 -13.14 39.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 64.22 112.498 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.8 HD23 ' HD2' ' A' ' 80' ' ' LYS . 9.6 tp -91.01 -12.57 35.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 72.11 110.922 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.74 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.03 -31.84 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 55.45 111.139 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.441 ' HB2' HD12 ' A' ' 16' ' ' LEU . 58.1 m-85 -95.86 1.05 52.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 54.53 110.882 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -127.17 -47.63 1.47 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 73.15 110.922 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.2 tp -117.68 68.27 5.92 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.625 0.726 . . . . 75.53 110.916 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 129.34 17.43 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.689 2.259 . . . . 75.33 112.321 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.2 m -107.73 -17.05 14.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 75.41 111.144 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -177.99 -170.86 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 71.12 110.885 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -16.68 60.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 72.04 110.85 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.08 39.05 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 75.31 112.51 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.65 -69.75 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.966 0.413 . . . . 74.21 110.922 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.8 ' HD2' HD23 ' A' ' 69' ' ' LEU . 8.7 mmtt -55.49 -29.83 59.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 64.13 110.936 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.74 ' HG2' HG21 ' A' ' 70' ' ' VAL . 9.2 mtt -73.45 -60.98 1.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.897 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 t -59.76 -25.83 65.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 41.2 111.127 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -81.05 -22.44 39.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 70.21 110.931 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.638 ' OG ' HD13 ' A' ' 66' ' ' LEU . 35.8 m -84.36 -27.88 27.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 73.43 110.835 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.456 ' HA ' HD12 ' A' ' 88' ' ' LEU . 8.3 tttm -62.98 -19.94 64.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 73.32 110.904 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.52 -17.96 49.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.854 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.32 -33.75 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 62.31 111.105 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.654 HD13 ' HB3' ' A' ' 120' ' ' LYS . 5.6 mt -69.98 -32.17 70.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 53.42 110.89 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.27 -32.48 55.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.86 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 m -87.2 -20.01 27.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 44.52 110.821 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -80.28 -46.86 15.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 72.4 110.954 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.4 t -53.4 -27.86 26.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 73.4 111.175 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.3 -31.3 53.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 72.54 110.912 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -83.58 -23.79 31.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 61.53 110.871 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.3 tp -83.07 -27.4 30.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 63.3 110.905 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.474 ' O ' HG23 ' A' ' 99' ' ' VAL . 30.3 mttm -64.88 -30.53 71.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 75.12 110.941 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -12.7 61.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 61.42 110.846 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.442 HD11 ' OH ' ' A' ' 51' ' ' TYR . 0.8 OUTLIER -52.15 -24.68 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 70.43 111.126 179.884 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 96' ' ' LYS . 26.3 t -58.35 -20.51 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 62.35 111.145 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.52 -14.88 39.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 73.32 110.88 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.717 ' HB3' HD12 ' A' ' 102' ' ' ILE . 0.4 OUTLIER -98.36 -69.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 71.22 110.919 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.717 HD12 ' HB3' ' A' ' 101' ' ' LEU . 3.2 mp -133.01 73.74 74.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.654 0.74 . . . . 71.23 111.096 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 100.06 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.689 2.259 . . . . 70.41 112.385 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -74.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 74.5 110.873 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.5 p -144.41 -179.28 6.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 75.22 111.13 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.4 m -106.38 -3.2 21.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 64.02 110.868 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.2 m -105.09 -32.48 8.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 72.14 110.849 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.663 ' HB2' ' HG3' ' A' ' 41' ' ' GLN . . . -80.65 -17.24 51.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 45.21 111.091 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.546 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -51.93 -57.6 14.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.621 0.724 . . . . 74.12 111.114 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.75 -21.24 33.81 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.702 2.268 . . . . 74.41 112.325 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.3 tt -75.7 -58.94 2.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 65.41 110.928 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.8 tt -58.08 -26.72 29.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 72.22 111.1 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -54.22 -31.89 50.2 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 63.42 112.454 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -78.69 -39.2 37.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.795 0.331 . . . . 54.44 110.871 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.596 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 3.7 m-85 -67.81 -54.45 18.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 73.15 110.949 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -36.17 60.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 63.42 110.873 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.7 tt -79.51 -27.84 41.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 75.44 110.906 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -52.12 -43.96 64.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 73.25 110.852 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.4 m -71.58 -32.09 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 54.4 111.154 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.654 ' HB3' HD13 ' A' ' 88' ' ' LEU . 16.2 mttp -73.06 -28.89 62.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 65.12 110.93 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -85.97 -24.54 26.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 74.32 110.896 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -52.06 -31.66 31.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 73.04 110.888 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 120' ' ' LYS . 7.1 p -52.32 -29.54 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 64.41 111.092 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -56.54 -27.35 57.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 74.4 110.877 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.2 m -59.55 -21.78 60.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 51.51 110.903 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.7 t -67.85 -20.88 65.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 52.43 110.836 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 12.8 mt -79.76 -53.22 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 63.23 111.151 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -53.09 -37.09 61.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 73.35 110.907 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.625 HD12 HG23 ' A' ' 19' ' ' VAL . 29.9 mt -65.3 -36.59 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 62.31 111.11 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -22.58 59.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 72.3 111.106 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -60.18 -18.41 47.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 71.23 110.846 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -84.72 -19.91 31.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 70.33 110.841 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.59 -25.63 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 65.13 111.156 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.81 -22.86 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 75.31 111.161 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.0 -24.74 32.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 74.14 110.862 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.07 -44.02 7.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 74.41 111.166 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -61.35 -29.26 69.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 73.14 110.886 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -77.41 -51.81 10.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 55.34 110.85 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -52.07 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 71.04 110.839 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 63.12 110.875 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.836 0.351 . . . . 72.1 110.891 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.512 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -169.59 -47.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 52.52 111.078 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 22.4 mmt -80.14 -44.56 19.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 62.12 110.878 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.31 -18.93 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 72.41 111.126 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.59 ' CD1' HG21 ' A' ' 133' ' ' VAL . 0.3 OUTLIER -83.43 -28.43 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 74.42 111.135 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -73.99 -24.3 59.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 73.13 110.862 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -76.59 -56.21 4.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 73.31 110.914 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.7 mt -52.78 -28.76 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 60.22 111.167 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.48 -43.31 71.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 71.13 110.877 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -66.17 -18.92 65.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 72.34 110.887 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -76.76 -40.54 48.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 63.32 110.904 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.499 HG21 ' HA ' ' A' ' 126' ' ' SER . 0.4 OUTLIER -88.14 -27.73 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 75.04 111.109 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.484 ' HA ' HD12 ' A' ' 23' ' ' ILE . 3.2 t80 -80.84 -18.94 45.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 61.54 110.855 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.98 -52.5 35.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 74.25 110.857 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -32.5 73.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 74.02 110.879 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 20' ' ' PHE . 24.9 mt -54.5 -33.86 27.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 75.24 111.134 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.02 -21.36 40.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 61.13 110.881 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -85.04 -59.01 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 72.14 110.881 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.2 tp -52.08 -29.58 11.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 72.23 111.104 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.95 -36.77 93.47 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 45.43 112.491 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.02 -21.04 20.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.749 0.309 . . . . 74.43 111.13 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -69.43 -29.55 67.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 60.31 110.893 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.4 p -81.91 -17.95 45.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 72.01 110.861 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.5 t -65.13 -20.47 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 42.51 111.138 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -86.21 -59.27 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 71.33 110.886 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.26 -23.19 46.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 24.34 111.107 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.46 -39.83 41.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 62.51 112.532 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.429 ' O ' HD13 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.62 -26.39 21.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 72.1 110.85 -179.862 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 mp -72.27 -38.23 68.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 70.44 110.908 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.718 ' CG2' HD13 ' A' ' 111' ' ' LEU . 1.3 mp -78.47 -37.69 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 72.42 111.105 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -46.18 86.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 72.22 110.9 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.429 HD13 ' O ' ' A' ' 35' ' ' ARG . 2.4 mp -51.85 -47.51 64.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 73.12 110.938 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.35 -34.7 61.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 64.12 110.84 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.744 ' HG3' ' HB2' ' A' ' 108' ' ' ALA . 18.8 mm-40 -56.25 -36.92 69.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 64.12 110.928 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -179.52 -34.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 72.22 110.902 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.78 -9.21 78.37 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.754 -0.736 . . . . 45.14 112.486 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.6 167.56 13.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.741 -0.742 . . . . 63.32 112.497 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 158.3 162.87 12.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 74.34 112.508 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.77 -101.96 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.743 . . . . 73.32 112.496 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.63 175.05 0.35 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 44.11 112.456 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.15 -178.81 28.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.694 -0.765 . . . . 73.53 112.496 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -10.64 29.03 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.654 2.236 . . . . 64.02 112.361 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.53 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -81.36 -35.0 31.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 70.25 110.948 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -61.23 -36.25 79.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.915 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.432 ' HD2' HG23 ' A' ' 53' ' ' VAL . 5.1 t80 -63.99 -51.96 61.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 72.1 110.888 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.432 HG23 ' HD2' ' A' ' 52' ' ' PHE . 63.5 t -69.1 -32.21 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 74.44 111.126 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.5 t -72.6 -37.28 55.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 74.24 111.143 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -84.28 -24.71 29.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 60.21 110.892 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.6 t -85.2 -45.29 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 64.43 111.13 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 35.5 mm -75.12 -22.53 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 72.21 111.141 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.481 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.5 mt-10 -51.24 -60.56 5.48 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.638 0.733 . . . . 71.22 110.848 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.607 ' HG2' HD22 ' A' ' 91' ' ' LEU . 53.5 Cg_endo -69.81 -32.65 17.96 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.654 2.236 . . . . 64.11 112.384 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 66.0 m -64.2 -31.41 72.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 72.41 110.849 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -53.01 -53.44 50.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 72.53 110.894 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -55.77 -25.56 41.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 62.4 110.93 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.569 ' HD1' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -83.9 -24.97 30.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 70.34 110.878 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.83 -38.96 65.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 51.43 110.894 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.45 -25.83 68.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 63.45 110.846 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.569 HD12 ' HD1' ' A' ' 63' ' ' PHE . 52.1 mt -66.53 -32.45 73.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 72.43 110.863 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.7 m -62.59 -20.6 64.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 74.21 111.152 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.29 -13.77 37.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 51.24 112.501 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.73 HD23 ' HD2' ' A' ' 80' ' ' LYS . 11.6 tp -91.01 -11.07 39.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 53.3 110.941 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.721 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.8 t -95.01 -31.99 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 50.21 111.129 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -95.86 1.06 52.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 72.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -119.58 -61.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 64.22 110.943 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.4 tp -139.88 74.42 32.01 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.583 0.706 . . . . 73.02 110.89 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 129.3 17.34 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.638 2.225 . . . . 71.12 112.37 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.4 m -65.7 -14.33 61.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 72.43 111.13 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -177.9 -171.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 64.21 110.83 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.458 ' O ' ' HE1' ' A' ' 81' ' ' MET . 1.7 p -62.85 -16.84 60.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 75.05 110.881 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.8 29.75 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 44.1 112.452 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -71.22 -43.74 66.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.383 . . . . 73.31 110.857 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.73 ' HD2' HD23 ' A' ' 69' ' ' LEU . 11.9 mmtt -81.03 -22.1 39.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 75.53 110.877 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.721 ' HG2' HG21 ' A' ' 70' ' ' VAL . 8.1 mtt -84.41 -44.77 13.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 75.3 110.87 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.0 t -57.62 -22.97 48.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 44.32 111.176 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.664 ' O ' HG23 ' A' ' 87' ' ' VAL . 79.9 mt-10 -81.18 -19.98 42.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 73.42 110.877 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.9 m -74.98 -26.77 59.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 52.2 110.857 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.4 ttmt -74.59 -22.11 59.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 71.51 110.875 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.6 t -87.03 -17.93 31.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 54.44 110.865 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 83' ' ' GLU . 15.9 t -82.07 -34.36 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 63.22 111.105 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 47.0 mt -86.1 -33.54 20.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 63.32 110.922 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.432 ' O ' HG22 ' A' ' 92' ' ' THR . 0.5 OUTLIER -74.56 -37.65 62.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 72.4 110.9 179.792 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 24.1 t -80.93 -19.95 43.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 74.13 110.829 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.607 HD22 ' HG2' ' A' ' 59' ' ' PRO . 2.2 tp -76.99 -48.66 17.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 63.01 110.917 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.8 t -53.77 -27.49 29.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 72.33 111.161 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.74 -35.94 56.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 70.4 110.936 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.4 mmpm? -83.6 -22.96 32.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 75.12 110.921 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 11.3 tp -82.24 -22.83 35.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 60.43 110.931 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -79.82 -36.22 37.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 74.14 110.877 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -12.48 61.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 62.32 110.876 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.89 -24.62 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 71.2 111.132 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.413 HG22 ' HB3' ' A' ' 103' ' ' PRO . 0.8 OUTLIER -57.65 -20.72 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 63.35 111.098 179.86 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -87.27 -18.85 29.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 71.31 110.856 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.809 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -88.35 -68.36 0.77 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.916 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.809 HD12 ' HB3' ' A' ' 101' ' ' LEU . 4.3 mp -139.48 74.2 34.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.73 . . . . 60.33 111.124 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.413 ' HB3' HG22 ' A' ' 99' ' ' VAL . 54.2 Cg_endo -69.73 82.65 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.272 . . . . 73.12 112.395 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 59.0 m -52.06 -68.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 60.2 110.834 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.488 HG21 ' HB3' ' A' ' 41' ' ' GLN . 4.1 p -142.56 131.37 22.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 61.2 111.148 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.9 t -79.58 -5.82 55.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 62.44 110.832 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.48 -31.71 53.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 75.31 110.83 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.744 ' HB2' ' HG3' ' A' ' 41' ' ' GLN . . . -80.84 -17.0 52.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 72.41 111.128 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.545 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -52.22 -57.57 14.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.633 0.73 . . . . 72.33 111.07 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.7 Cg_endo -69.73 -23.32 31.08 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.724 2.283 . . . . 65.04 112.341 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.718 HD13 ' CG2' ' A' ' 37' ' ' ILE . 0.7 OUTLIER -73.59 -58.08 3.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 64.12 110.918 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -56.4 -24.95 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 74.52 111.149 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -52.92 -31.91 40.44 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 44.53 112.511 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -83.75 -33.01 25.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.766 0.317 . . . . 71.32 110.9 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -73.78 -29.57 62.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 73.52 110.916 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.05 -54.07 25.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 71.25 110.898 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -25.96 59.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 61.21 110.94 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -53.33 -39.21 63.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 62.44 110.843 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 20.3 m -71.63 -44.91 63.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 43.32 111.139 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -66.02 -24.81 66.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 63.24 110.887 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -75.85 -31.1 59.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.928 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -51.21 26.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 72.22 110.902 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 6.9 p -58.11 -23.02 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 64.54 111.159 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.503 ' HG2' HD11 ' A' ' 127' ' ' ILE . 0.0 OUTLIER -65.65 -20.03 66.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.911 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.3 -47.62 19.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 70.44 110.862 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.499 ' HA ' HG21 ' A' ' 19' ' ' VAL . 43.1 p -57.77 -35.96 71.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 62.41 110.901 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.503 HD11 ' HG2' ' A' ' 124' ' ' GLU . 37.8 pt -79.02 -24.23 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 55.24 111.136 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -82.53 -29.11 30.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.92 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 63.4 mt -65.25 -35.21 74.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 73.3 111.154 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.83 -22.51 66.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 62.12 111.147 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.16 -18.42 47.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 74.13 110.899 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -85.51 -19.69 30.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.86 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.59 HG21 ' CD1' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.75 -26.77 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 74.55 111.126 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -30.83 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 74.02 111.121 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -21.52 59.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 71.34 110.877 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -44.03 33.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 73.21 111.119 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -76.09 -8.97 58.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 62.33 110.885 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -104.86 -24.79 12.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 71.15 110.841 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.868 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.86 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.714 ' HB3' HD13 ' A' ' 12' ' ' ILE . 5.6 m-70 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.794 0.331 . . . . 75.05 110.851 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.507 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -172.36 -47.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 63.01 111.092 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.26 -44.58 19.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 61.31 110.849 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 t -90.29 -19.04 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 55.04 111.108 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.739 HD12 HG21 ' A' ' 133' ' ' VAL . 0.4 OUTLIER -83.38 -28.53 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 73.25 111.085 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -73.23 -19.62 61.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 71.31 110.847 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -83.98 -19.99 33.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.913 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.8 mm -75.82 -25.05 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 62.11 111.143 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.7 tp -53.85 -45.18 70.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 64.55 110.922 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -65.83 -18.92 65.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 75.41 110.87 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.5 t -76.83 -40.33 48.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 52.42 110.889 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.854 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.09 -27.81 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.15 111.097 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.753 ' HA ' HD12 ' A' ' 23' ' ' ILE . 2.8 t80 -80.83 -19.01 45.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 72.21 110.889 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -68.29 -56.43 8.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 74.13 110.865 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -51.52 -41.26 60.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 63.2 110.878 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.753 HD12 ' HA ' ' A' ' 20' ' ' PHE . 66.4 mt -54.23 -34.81 28.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 72.11 111.136 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.03 -21.06 40.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 64.45 110.837 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.36 -59.01 2.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 62.31 110.903 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 tp -52.1 -29.53 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 72.23 111.173 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.75 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -61.55 -48.3 85.5 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 63.12 112.496 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.05 -29.52 21.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.798 0.332 . . . . 65.11 111.165 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -71.22 -37.64 72.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 73.32 110.919 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -82.03 -28.56 32.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 74.04 110.822 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 27' ' ' GLY . 60.5 t -59.57 -20.7 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 50.31 111.116 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -87.64 -52.84 5.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 73.24 110.876 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.48 -24.07 29.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 64.4 111.082 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.24 -41.79 68.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.779 -0.724 . . . . 63.34 112.507 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.581 ' O ' HD22 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -89.68 -20.35 23.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.37 . . . . 73.12 110.846 -179.811 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mp -78.88 -35.79 43.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 62.25 110.923 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.797 HG13 HD13 ' A' ' 111' ' ' LEU . 1.2 mp -76.89 -52.23 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 62.34 111.168 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -54.56 -51.97 63.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 63.41 110.872 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.581 HD22 ' O ' ' A' ' 35' ' ' ARG . 2.4 mp -51.02 -35.67 35.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 51.34 110.921 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 m -82.02 -28.93 32.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 63.05 110.909 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.626 ' CD ' ' HB2' ' A' ' 108' ' ' ALA . 3.5 mm-40 -63.51 94.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 74.2 110.895 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -141.47 12.75 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 72.55 110.889 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.04 -27.96 47.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 73.14 112.485 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -131.73 -36.47 0.32 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 54.42 112.462 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.72 147.23 10.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 51.15 112.443 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -173.5 178.06 45.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.683 -0.77 . . . . 73.45 112.429 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.24 -171.99 0.45 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 75.12 112.478 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -92.02 179.97 41.29 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.685 -0.769 . . . . 63.32 112.445 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -10.93 29.71 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.667 2.245 . . . . 60.22 112.349 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.531 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -79.34 -28.18 42.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 62.41 110.883 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -30.47 68.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 74.41 110.911 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -65.09 -47.83 75.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 74.24 110.871 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -26.44 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 74.51 111.109 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 t -78.54 -31.74 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 75.14 111.138 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.408 ' N ' HD22 ' A' ' 55' ' ' ASN . 1.6 m-80 -89.18 -24.66 22.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 75.11 110.905 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.0 t -85.61 -45.33 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 71.13 111.14 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 36.4 mm -75.11 -22.39 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 74.41 111.144 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.485 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.6 mt-10 -51.68 -60.56 5.7 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.633 0.73 . . . . 71.4 110.914 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.8 Cg_endo -69.76 -26.59 27.43 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.688 2.259 . . . . 73.0 112.357 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -32.79 74.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 62.43 110.884 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.81 -58.46 7.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 64.14 110.9 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -55.73 -25.57 41.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 73.3 110.905 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.541 ' CE2' HD21 ' A' ' 88' ' ' LEU . 2.6 t80 -84.09 -24.85 30.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 70.13 110.889 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -41.58 80.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 55.22 110.835 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -64.83 -27.45 68.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 63.54 110.889 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.753 HD13 ' OG ' ' A' ' 84' ' ' SER . 45.6 mt -67.22 -37.95 84.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 65.44 110.876 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.7 p -62.84 -16.39 58.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 72.35 111.143 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.85 -13.38 37.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 73.33 112.487 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.784 HD23 ' HD2' ' A' ' 80' ' ' LYS . 9.4 tp -91.01 -10.6 41.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.906 0.384 . . . . 71.23 110.958 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.737 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.08 -31.71 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 63.34 111.103 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -97.11 1.09 49.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 71.51 110.847 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -124.03 -56.61 1.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 53.41 110.922 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 68.3 mt -113.95 72.71 2.2 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.593 0.711 . . . . 64.4 110.954 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 129.05 16.97 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.753 2.302 . . . . 72.23 112.357 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 47.5 m -102.68 -17.15 15.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 51.41 111.149 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -178.01 -170.8 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 65.42 110.861 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -16.69 60.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 71.35 110.85 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.94 39.14 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 71.42 112.428 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.04 -69.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.921 0.391 . . . . 73.51 110.914 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.784 ' HD2' HD23 ' A' ' 69' ' ' LEU . 9.0 mmtt -54.72 -27.92 44.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 72.13 110.915 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.737 ' HG2' HG21 ' A' ' 70' ' ' VAL . 10.2 mtt -76.47 -61.05 2.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 75.24 110.877 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -58.89 -25.99 63.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 42.32 111.15 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -76.68 -28.05 55.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 71.4 110.941 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.753 ' OG ' HD13 ' A' ' 66' ' ' LEU . 51.3 m -84.99 -26.07 27.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 75.11 110.848 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -64.49 -32.2 73.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 55.3 110.967 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -17.97 65.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.871 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.0 t -87.02 -23.02 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 75.21 111.076 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.567 HD11 HG21 ' A' ' 123' ' ' VAL . 35.9 mt -68.7 -36.21 78.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.884 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.507 ' O ' HG22 ' A' ' 92' ' ' THR . 0.1 OUTLIER -79.42 -34.22 41.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 65.33 110.915 179.83 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -81.19 -19.92 42.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 75.51 110.855 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.517 HD12 ' O ' ' A' ' 91' ' ' LEU . 2.1 tp -70.84 -45.95 63.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 65.14 110.908 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.507 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.8 t -53.79 -27.24 27.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 74.42 111.132 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.86 -32.04 60.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 72.1 110.864 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -22.98 32.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 63.45 110.927 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.46 -36.61 26.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.912 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.45 ' O ' HG23 ' A' ' 99' ' ' VAL . 19.7 mttm -65.35 -29.92 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 74.03 110.934 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -12.64 61.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 62.14 110.925 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.89 -24.79 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 74.32 111.107 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 96' ' ' LYS . 25.9 t -57.6 -20.98 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 71.12 111.175 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -87.45 -18.59 29.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 64.05 110.877 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.727 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.2 mp -89.14 -69.6 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 72.14 110.93 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.727 HD12 ' HB3' ' A' ' 101' ' ' LEU . 3.2 mp -137.71 73.9 46.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.584 0.707 . . . . 64.2 111.171 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 78.52 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.731 2.288 . . . . 71.11 112.331 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.499 ' O ' HG23 ' A' ' 105' ' ' THR . 71.0 m -53.88 -74.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 45.24 110.851 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 104' ' ' SER . 1.0 OUTLIER -159.34 175.94 12.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 72.44 111.163 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 t -91.79 7.33 42.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 63.55 110.867 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.6 t -79.72 -42.1 25.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 72.5 110.845 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.742 ' HA ' HD12 ' A' ' 111' ' ' LEU . . . -80.06 -17.03 53.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 73.13 111.125 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.527 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -52.61 -57.55 15.36 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.581 0.705 . . . . 63.11 111.106 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.7 Cg_endo -69.76 -34.48 14.5 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.695 2.263 . . . . 72.0 112.363 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.797 HD13 HG13 ' A' ' 37' ' ' ILE . 28.5 mt -63.34 -55.34 25.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 71.41 110.887 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.407 HG22 ' O ' ' A' ' 108' ' ' ALA . 14.9 tt -68.5 -24.7 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 63.13 111.112 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -69.58 -33.7 72.28 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.759 . . . . 33.25 112.531 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -65.35 -33.34 75.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 53.45 110.904 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -85.09 -18.96 32.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 71.44 110.876 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.17 -52.74 37.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 74.54 110.887 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -24.97 55.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 75.11 110.93 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.05 -31.4 29.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 61.0 110.893 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.57 ' O ' HG23 ' A' ' 123' ' ' VAL . 24.9 p -86.39 -28.17 23.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 52.15 111.137 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -69.09 -37.67 78.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.91 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -74.82 -31.68 61.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 75.34 110.874 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.26 -24.77 64.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 74.51 110.883 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 119' ' ' THR . 64.6 t -56.31 -28.39 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 73.41 111.141 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.52 ' HG3' HD11 ' A' ' 127' ' ' ILE . 0.3 OUTLIER -64.36 -20.23 65.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.937 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 67.9 m -57.59 -23.83 52.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 74.43 110.813 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 130' ' ' THR . 1.4 m -64.08 -53.05 55.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 72.45 110.858 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.52 HD11 ' HG3' ' A' ' 124' ' ' GLU . 27.8 pt -72.1 -25.75 24.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 74.32 111.09 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -70.68 -55.26 9.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 70.03 110.908 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.854 HD12 HG23 ' A' ' 19' ' ' VAL . 20.8 mt -62.4 -47.43 93.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 71.41 111.155 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.479 ' O ' HG12 ' A' ' 133' ' ' VAL . 66.8 p -61.6 -22.57 65.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 75.14 111.113 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.04 -18.61 47.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 72.45 110.909 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -83.94 -24.16 30.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 73.42 110.916 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.739 HG21 HD12 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -60.0 -20.26 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 73.42 111.083 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 2.2 pp -53.84 -28.01 16.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 54.43 111.164 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -52.09 -34.38 43.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 75.02 110.881 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.7 -42.18 8.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 63.42 111.109 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -60.38 -20.24 58.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 74.32 110.851 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -83.64 -53.08 5.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 63.53 110.881 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -52.46 -66.92 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 75.53 110.835 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 74.11 110.822 -179.764 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.705 ' HB3' HD13 ' A' ' 12' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.77 0.319 . . . . 72.41 110.869 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.517 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -169.07 -47.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 71.04 111.062 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.4 mmt -80.14 -44.49 19.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 65.13 110.864 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.0 t -90.3 -18.96 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 73.12 111.138 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.705 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.3 OUTLIER -83.45 -28.44 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 62.23 111.156 179.882 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -81.16 -21.78 39.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 72.15 110.847 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.04 -49.32 10.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 55.43 110.884 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.7 mt -56.11 -24.99 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 72.44 111.116 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 tt -52.6 -49.48 64.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 74.52 110.916 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt -66.14 -18.83 65.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 74.24 110.887 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -40.3 47.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 63.52 110.913 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.57 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.09 -27.79 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 73.31 111.175 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.789 ' HA ' HD12 ' A' ' 23' ' ' ILE . 3.0 t80 -80.82 -19.0 45.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.923 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -68.19 -53.78 22.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 75.41 110.894 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -38.18 84.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 71.53 110.905 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.789 HD12 ' HA ' ' A' ' 20' ' ' PHE . 58.4 mt -52.15 -35.08 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 75.23 111.124 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -81.02 -26.98 36.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 74.2 110.915 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -76.99 -57.76 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 73.41 110.937 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.702 HG13 HG22 ' A' ' 119' ' ' THR . 10.2 tp -51.75 -29.96 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 73.52 111.135 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.2 -35.35 88.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 63.22 112.493 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.99 -20.94 20.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.32 . . . . 73.34 111.193 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.99 -41.04 68.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 71.41 110.867 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.2 m -66.95 -18.02 65.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 62.4 110.868 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.0 t -70.32 -20.56 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 43.23 111.123 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -86.16 -59.31 2.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 63.22 110.855 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.457 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -56.17 -21.76 24.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 63.02 111.112 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.6 -37.8 26.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.797 -0.716 . . . . 70.24 112.471 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.54 -25.1 22.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.813 0.339 . . . . 63.35 110.889 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 mp -76.03 -40.11 54.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 54.1 110.877 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.455 HG12 HD22 ' A' ' 111' ' ' LEU . 1.3 mp -72.03 -48.66 48.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 70.43 111.119 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -53.84 -60.49 3.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 74.2 110.878 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.483 HD12 ' CA ' ' A' ' 43' ' ' GLY . 5.9 mp -50.78 -36.11 35.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 75.14 110.927 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -55.7 -35.8 66.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 53.13 110.832 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -90.58 -39.07 12.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 64.13 110.919 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -177.77 -35.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 63.22 110.873 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.483 ' CA ' HD12 ' A' ' 39' ' ' LEU . . . 94.61 -26.96 15.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 61.14 112.488 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.05 -105.36 1.81 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 63.41 112.504 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.508 ' O ' HG21 ' A' ' 102' ' ' ILE . . . 151.64 -150.23 22.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 71.32 112.511 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.85 -137.03 24.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 53.32 112.474 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.17 167.91 0.8 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.721 -0.752 . . . . 74.4 112.482 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -96.13 -178.78 35.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.742 . . . . 72.24 112.49 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -10.73 29.29 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.666 2.244 . . . . 72.24 112.332 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.529 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -81.11 -33.89 32.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 72.3 110.899 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -65.75 -41.25 92.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 72.44 110.916 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.84 -30.52 71.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 74.5 110.894 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.548 ' HA ' HG12 ' A' ' 56' ' ' VAL . 48.5 t -88.71 -27.97 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 73.11 111.131 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 50' ' ' LEU . 44.1 t -80.88 -28.43 11.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 72.34 111.155 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.8 -24.68 22.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 72.01 110.875 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 53' ' ' VAL . 4.8 p -88.87 -28.12 5.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 72.14 111.154 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.5 mm -91.26 -25.91 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 74.14 111.119 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.494 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.7 mt-10 -51.3 -60.19 6.26 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.613 0.72 . . . . 75.32 110.902 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.9 Cg_endo -69.71 -33.96 15.71 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.698 2.265 . . . . 65.03 112.356 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.1 m -63.49 -32.23 73.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 75.1 110.927 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -51.99 -52.53 49.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.887 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.02 -25.22 43.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 70.51 110.908 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.31 -24.93 34.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 74.12 110.886 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.27 -39.02 78.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 64.32 110.862 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -57.12 -27.26 61.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.922 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.584 HD12 ' CB ' ' A' ' 84' ' ' SER . 5.5 mt -67.53 -32.91 74.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 74.1 110.926 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.0 m -62.41 -21.96 65.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 73.33 111.16 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.06 -11.24 55.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.693 -0.765 . . . . 74.55 112.493 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.803 HD23 ' HD2' ' A' ' 80' ' ' LYS . 13.5 tp -90.98 -12.47 35.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 72.44 110.941 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.715 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.5 t -94.85 -32.05 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 75.23 111.136 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -86.27 1.14 52.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 55.01 110.892 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.735 ' O ' HD22 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -118.97 -71.24 0.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 70.44 110.911 -179.827 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.735 HD22 ' O ' ' A' ' 72' ' ' TYR . 3.6 mm? -135.3 75.46 58.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 63.43 110.932 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 134.34 27.73 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.675 2.25 . . . . 71.22 112.351 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.0 m -61.7 -17.4 55.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 64.04 111.123 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -177.6 -172.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 61.42 110.845 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.483 ' O ' ' HE1' ' A' ' 81' ' ' MET . 14.8 t -62.09 -17.55 57.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 50.11 110.857 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -172.36 39.1 0.16 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.749 . . . . 53.32 112.507 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -86.15 -41.17 14.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 70.5 110.846 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.803 ' HD2' HD23 ' A' ' 69' ' ' LEU . 1.4 mmtt -81.07 -28.75 35.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 71.13 110.91 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.715 ' HG2' HG21 ' A' ' 70' ' ' VAL . 7.5 mtt -76.89 -48.45 18.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 71.24 110.891 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.6 t -54.64 -30.88 56.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 52.3 111.134 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 87' ' ' VAL . 3.1 mm-40 -86.64 -19.98 28.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 71.35 110.874 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.584 ' CB ' HD12 ' A' ' 66' ' ' LEU . 7.2 p -83.9 -26.3 29.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 63.34 110.913 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.09 -34.22 24.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 74.11 110.906 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.9 t -62.16 -18.03 59.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 75.15 110.864 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 83' ' ' GLU . 4.5 t -84.13 -22.98 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 73.42 111.153 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.505 ' CD1' HG21 ' A' ' 123' ' ' VAL . 56.4 mt -81.37 -35.66 30.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 64.12 110.906 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.5 ' O ' HG22 ' A' ' 92' ' ' THR . 2.2 mmmm -79.62 -34.09 40.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 74.43 110.941 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.1 p -81.07 -19.93 42.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 55.24 110.848 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 91' ' ' LEU . 2.0 tp -70.8 -45.93 63.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 73.01 110.908 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.8 t -53.75 -27.26 27.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 74.21 111.129 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.14 -31.13 61.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 65.33 110.859 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.58 -23.33 32.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 52.11 110.871 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -83.02 -22.98 33.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 71.21 110.96 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -67.34 -32.52 73.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 73.1 110.897 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -12.61 61.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 72.42 110.926 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -52.01 -24.55 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 73.42 111.112 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.412 HG22 ' HB3' ' A' ' 103' ' ' PRO . 0.6 OUTLIER -57.62 -20.75 14.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 74.42 111.177 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -87.26 -18.95 29.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 72.13 110.885 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.775 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -89.27 -68.63 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 65.0 110.88 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.775 HD12 ' HB3' ' A' ' 101' ' ' LEU . 3.9 mp -138.58 74.01 40.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.604 0.716 . . . . 73.41 111.168 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.412 ' HB3' HG22 ' A' ' 99' ' ' VAL . 54.3 Cg_endo -69.7 176.78 6.28 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 71.5 112.394 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.7 p -151.5 -170.01 3.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 74.45 110.867 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 32.3 p -51.74 160.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 72.02 111.171 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.77 6.68 40.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 42.15 110.854 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 67.7 m -82.85 -46.23 13.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 14.53 110.891 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.437 ' HB1' HG22 ' A' ' 37' ' ' ILE . . . -85.02 -17.01 38.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 73.53 111.085 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.533 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -51.74 -57.54 14.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 72.2 111.084 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.0 Cg_endo -69.78 -13.25 34.37 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.7 2.267 . . . . 62.24 112.336 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.455 HD22 HG12 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -83.51 -58.04 2.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.919 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 7.3 tt -56.17 -24.89 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 70.22 111.136 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -69.87 -21.34 76.64 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.717 -0.754 . . . . 75.24 112.504 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -86.76 -49.92 7.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 64.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.457 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 28.5 m-85 -53.24 -36.96 61.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 64.44 110.9 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 33.9 mtm -59.46 -43.47 93.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 75.33 110.9 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.05 -27.01 67.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 64.12 110.9 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -52.36 -36.83 54.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 70.34 110.914 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.702 HG22 HG13 ' A' ' 26' ' ' ILE . 70.1 p -76.69 -49.55 15.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 73.0 111.087 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -58.48 -22.47 55.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 62.35 110.91 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.43 -35.72 21.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 71.3 110.891 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -65.92 -24.42 66.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 63.42 110.858 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.505 HG21 ' CD1' ' A' ' 88' ' ' LEU . 96.3 t -58.11 -24.18 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 61.22 111.133 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -62.26 -20.05 63.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.903 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 36.4 m -58.04 -23.68 55.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.876 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.0 m -68.18 -56.35 9.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 60.53 110.816 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 34.0 pt -66.21 -26.66 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 53.34 111.151 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 27.9 tttt -78.76 -29.9 45.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 71.13 110.955 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.57 HD12 HG23 ' A' ' 19' ' ' VAL . 32.5 mt -83.69 -47.05 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 61.11 111.136 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.498 ' O ' HG12 ' A' ' 133' ' ' VAL . 21.5 p -67.82 -22.52 65.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 71.52 111.123 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -18.67 47.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 72.12 110.916 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -82.0 -21.2 37.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 75.23 110.936 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.498 HG12 ' O ' ' A' ' 130' ' ' THR . 0.6 OUTLIER -69.76 -21.08 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 63.51 111.117 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.5 pp -63.92 -22.99 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 61.11 111.104 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -51.92 -35.42 45.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 75.55 110.896 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.98 -22.39 17.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.105 -0.498 . . . . 54.4 111.12 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -78.5 -3.61 44.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 70.23 110.871 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.12 -18.25 10.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 44.14 110.839 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.15 -37.86 6.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 75.31 110.896 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.852 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.619 ' HB3' HD13 ' A' ' 12' ' ' ILE . 5.8 m-70 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.833 0.349 . . . . 74.13 110.864 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.51 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -168.35 -47.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 60.51 111.075 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.5 mmt -80.17 -44.57 19.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 70.25 110.842 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.27 -18.9 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 55.34 111.156 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.619 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.45 -28.55 7.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 75.33 111.092 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -75.14 -19.78 59.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.881 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -73.7 -31.55 63.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.865 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.4 mm -74.3 -25.17 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 74.01 111.161 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.84 -42.91 72.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.894 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -66.7 -18.84 65.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 64.51 110.907 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -76.8 -40.67 47.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 73.14 110.922 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.574 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.1 -27.85 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 55.01 111.118 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.64 ' HA ' HD12 ' A' ' 23' ' ' ILE . 3.8 t80 -80.82 -18.9 45.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 74.2 110.922 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -67.27 -50.19 61.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 65.33 110.874 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -33.72 75.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 72.4 110.917 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.64 HD12 ' HA ' ' A' ' 20' ' ' PHE . 19.7 mt -53.53 -35.14 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 64.42 111.158 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.99 -22.9 39.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 71.2 110.916 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -81.66 -58.39 3.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 45.13 110.919 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -55.61 -25.53 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 72.22 111.177 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.78 -34.37 89.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 54.15 112.452 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.1 p -91.93 -21.03 20.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 73.01 111.175 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.43 -28.22 66.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 75.3 110.905 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.2 m -81.84 -17.99 45.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 72.04 110.863 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.6 t -69.62 -20.46 23.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 75.25 111.142 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -86.22 -59.16 2.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 64.15 110.888 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.571 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -56.88 -22.42 37.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 52.41 111.088 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.09 -39.4 27.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 75.04 112.44 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.405 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.23 -23.9 23.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 75.23 110.839 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -76.15 -39.41 55.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 73.1 110.886 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.36 -40.61 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 64.43 111.104 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -63.1 -59.14 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 72.53 110.918 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.8 mm? -50.55 -35.94 32.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 72.21 110.903 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.79 -37.8 77.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 51.4 110.844 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -84.91 -38.97 18.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 74.1 110.926 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -179.43 -34.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 64.41 110.876 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.26 -27.95 14.97 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.73 -0.748 . . . . 73.12 112.482 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.02 -169.62 50.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 53.11 112.483 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.67 -142.69 4.41 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 62.1 112.507 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 54.32 -137.0 42.4 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.739 -0.743 . . . . 73.31 112.441 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.48 178.69 0.4 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 64.14 112.493 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.64 -178.53 28.3 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 73.43 112.532 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -10.74 29.29 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.7 2.267 . . . . 75.55 112.335 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.514 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -81.25 -21.97 39.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 64.24 110.88 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -80.08 -31.98 39.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 61.55 110.946 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -30.57 71.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 64.14 110.879 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.554 ' HA ' HG12 ' A' ' 56' ' ' VAL . 48.2 t -88.83 -27.95 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 72.31 111.096 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 50' ' ' LEU . 44.4 t -80.86 -28.45 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 62.02 111.109 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.64 ' OD1' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -88.83 -24.55 22.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 73.03 110.874 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.554 HG12 ' HA ' ' A' ' 53' ' ' VAL . 4.8 p -89.12 -27.98 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 71.53 111.109 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 15.4 mm -91.28 -26.04 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 32.23 111.084 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.494 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -51.38 -60.3 6.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.658 0.742 . . . . 55.11 110.875 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.7 Cg_endo -69.75 -33.35 16.79 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.689 2.259 . . . . 75.3 112.324 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.9 m -63.65 -30.97 72.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 74.02 110.842 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -52.98 -50.44 64.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 52.51 110.919 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.12 -25.74 47.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 74.25 110.866 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.1 -24.87 37.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 73.02 110.903 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.2 m -52.86 -34.37 54.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 53.05 110.82 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.69 -26.24 43.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 73.51 110.91 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 84' ' ' SER . 9.1 mt -70.24 -35.44 73.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 75.44 110.903 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.0 m -62.73 -20.68 65.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 74.13 111.149 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.51 -13.4 41.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.726 . . . . 32.12 112.484 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.759 HD23 ' HD2' ' A' ' 80' ' ' LYS . 11.1 tp -91.04 -9.67 44.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.902 0.382 . . . . 74.1 110.966 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.432 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.0 -31.9 4.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 65.43 111.17 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -97.01 1.14 49.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 75.13 110.919 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -119.24 -60.86 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 74.45 110.922 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.8 mt -140.11 74.57 30.45 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.617 0.722 . . . . 75.44 110.885 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 129.48 17.66 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.667 2.245 . . . . 74.44 112.312 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.3 m -58.24 -21.96 50.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 73.42 111.14 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -176.81 -171.63 0.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 71.43 110.873 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -16.94 59.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.857 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.9 29.0 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 64.41 112.518 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -82.6 -47.39 12.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 64.2 110.906 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.759 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -77.07 -34.67 57.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.35 110.908 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.432 ' HG2' HG21 ' A' ' 70' ' ' VAL . 16.4 mtt -68.07 -55.57 12.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 64.31 110.892 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 t -53.65 -27.55 27.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 75.35 111.148 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.534 ' O ' HG23 ' A' ' 87' ' ' VAL . 49.0 mm-40 -80.77 -30.53 36.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 72.55 110.911 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.44 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.7 OUTLIER -85.01 -21.02 29.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 60.13 110.848 -179.79 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -77.67 -52.97 8.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 70.12 110.908 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.8 t -62.13 -17.99 59.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 52.32 110.857 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 83' ' ' GLU . 3.4 t -73.63 -31.85 33.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 65.12 111.139 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.597 HD13 HG21 ' A' ' 123' ' ' VAL . 6.2 mt -70.3 -33.23 71.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 74.5 110.911 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.96 -28.16 27.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 72.01 110.926 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.3 m -87.25 -19.95 27.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 41.11 110.876 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.36 -44.25 62.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 71.22 110.923 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.5 t -54.28 -26.76 30.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 70.11 111.135 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -27.19 36.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 74.45 110.903 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.49 -29.76 52.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 64.11 110.914 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.64 HD13 ' OD1' ' A' ' 55' ' ' ASN . 8.4 tp -83.16 -28.34 29.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 65.22 110.878 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -65.17 -30.78 71.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 64.22 110.857 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -12.7 61.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 73.42 110.865 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -52.1 -24.7 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 60.42 111.126 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 56.9 t -58.21 -20.46 15.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 74.44 111.171 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -88.11 -16.0 34.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 70.33 110.876 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.603 ' HB3' HD12 ' A' ' 102' ' ' ILE . 0.6 OUTLIER -100.4 -70.96 0.72 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 73.03 110.935 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.603 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.7 mp -128.85 73.76 81.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.602 0.715 . . . . 63.32 111.119 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 113.44 3.37 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 64.15 112.336 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.0 m -75.08 -70.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 62.31 110.897 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.2 p -138.42 179.73 6.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 55.11 111.125 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.8 m -121.97 0.5 9.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.833 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.65 -37.34 7.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 71.23 110.869 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.23 -17.48 52.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 62.42 111.156 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.543 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -52.67 -57.58 15.3 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.64 0.734 . . . . 60.21 111.148 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.5 Cg_endo -69.76 -13.59 34.89 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 62.44 112.352 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.46 -53.49 6.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 73.41 110.948 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 8.4 tt -71.88 -24.62 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 72.52 111.13 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -55.76 -23.81 38.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.723 . . . . 63.03 112.462 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -84.59 -40.77 17.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.777 0.322 . . . . 74.33 110.94 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.571 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 2.7 m-85 -61.75 -39.57 92.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 74.13 110.933 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 11.3 mtp -59.2 -35.29 73.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 63.52 110.897 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.9 tt -71.94 -25.39 61.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 71.44 110.918 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -52.12 -35.58 48.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 74.34 110.86 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 22.9 m -75.58 -39.59 57.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 71.42 111.105 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.45 -32.26 73.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 75.21 110.894 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.63 -41.1 76.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 74.55 110.882 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -61.26 -22.77 65.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 73.53 110.845 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.597 HG21 HD13 ' A' ' 88' ' ' LEU . 89.5 t -57.86 -23.53 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 65.43 111.157 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -59.62 -22.62 62.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 61.2 110.845 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 39.7 m -57.33 -24.38 54.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 53.33 110.897 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.28 -54.91 38.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 71.22 110.873 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 38.7 pt -70.53 -26.26 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 71.55 111.125 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -72.24 -27.88 62.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 74.54 110.916 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.574 HD12 HG23 ' A' ' 19' ' ' VAL . 30.3 mt -84.95 -33.7 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 73.13 111.142 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 40.0 p -63.46 -22.51 66.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 75.41 111.167 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -60.16 -18.5 48.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 73.41 110.848 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -85.54 -19.65 30.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 62.44 110.87 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.516 HG21 ' CD1' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.91 -26.81 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 65.12 111.113 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -30.9 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 74.11 111.143 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -22.1 61.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.866 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.99 -44.01 7.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 73.03 111.143 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -65.47 -15.07 62.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 64.44 110.895 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -92.44 -49.2 6.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 75.32 110.819 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -52.03 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 74.12 110.841 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 70.2 110.886 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.598 ' HB3' HD13 ' A' ' 12' ' ' ILE . 2.6 m-70 . . . . . 0 CA--C 1.526 0.054 0 CA-C-O 120.794 0.33 . . . . 70.43 110.87 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.517 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -170.2 -47.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 71.53 111.135 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -44.51 19.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 62.41 110.898 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 t -90.33 -18.93 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 74.31 111.132 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.598 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.3 OUTLIER -83.37 -28.56 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 71.43 111.164 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.53 -19.84 60.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 73.11 110.903 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -83.12 -20.88 33.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 75.31 110.895 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -73.94 -24.97 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 75.24 111.121 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.5 tp -52.84 -49.19 66.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 75.12 110.904 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.95 -18.84 65.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 71.2 110.886 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -40.04 48.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.881 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.141 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.08 -27.7 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 73.24 111.168 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.453 ' HA ' HD12 ' A' ' 23' ' ' ILE . 1.9 t80 -80.91 -18.91 45.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 53.21 110.933 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -69.39 -34.9 75.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 60.3 110.869 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -35.95 74.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.22 110.864 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 20' ' ' PHE . 86.0 mt -51.96 -38.25 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 52.44 111.148 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.1 m -81.0 -23.6 38.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.893 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -77.56 -57.79 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 62.23 110.861 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.9 pp -51.67 -30.02 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 74.34 111.122 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.754 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -60.19 -41.81 98.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.749 . . . . 33.2 112.528 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -28.24 25.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.756 0.312 . . . . 71.11 111.152 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -79.79 -31.64 40.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 73.11 110.899 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.2 t -81.97 -27.23 33.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.44 110.877 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 27' ' ' GLY . 58.3 t -59.67 -20.52 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 62.33 111.118 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.77 -56.48 3.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 74.55 110.89 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.613 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -56.12 -23.35 33.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 73.22 111.095 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.73 -40.76 44.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 55.12 112.49 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.5 ' O ' HD13 ' A' ' 39' ' ' LEU . 26.0 mmm-85 -88.83 -21.86 23.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 74.21 110.828 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -78.71 -36.17 43.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 61.03 110.876 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.687 HG13 HD13 ' A' ' 111' ' ' LEU . 1.0 OUTLIER -73.11 -40.07 57.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 61.01 111.125 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.0 -45.82 63.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 71.25 110.892 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 35' ' ' ARG . 1.5 mp -51.73 -30.66 23.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 72.34 110.913 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.06 -35.16 49.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 43.13 110.899 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.734 ' NE2' ' HB2' ' A' ' 108' ' ' ALA . 64.7 mm-40 -50.85 103.96 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 65.13 110.951 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -131.21 4.39 4.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 63.22 110.897 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.52 ' HA3' HG22 ' A' ' 105' ' ' THR . . . -70.29 -30.15 69.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.792 -0.718 . . . . 63.54 112.44 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 131.08 89.34 0.49 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 71.43 112.528 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.08 -151.88 13.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 51.14 112.513 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -145.66 -81.69 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.755 -0.736 . . . . 44.14 112.495 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.16 165.28 1.28 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 51.25 112.539 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -99.65 -164.93 29.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.747 . . . . 61.33 112.528 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -9.99 27.45 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.688 2.259 . . . . 72.43 112.354 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.4 mt -73.25 -21.99 60.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 72.41 110.923 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -28.16 49.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 75.41 110.943 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.98 -38.85 86.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 75.44 110.903 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.34 -26.35 6.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 52.23 111.131 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t -75.94 -31.93 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 64.01 111.124 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.25 -24.75 22.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 75.33 110.886 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.9 t -85.8 -45.15 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 61.41 111.118 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.7 mm -75.17 -22.41 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 73.34 111.1 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.489 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.69 -60.67 5.49 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.681 0.753 . . . . 74.22 110.918 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.516 ' HB2' HD22 ' A' ' 91' ' ' LEU . 53.2 Cg_endo -69.75 -26.31 27.74 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.663 2.242 . . . . 70.2 112.312 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -35.6 80.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 75.01 110.874 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -54.69 -57.75 10.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.54 110.898 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -55.62 -25.7 40.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 72.32 110.906 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -84.31 -24.9 29.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 64.13 110.899 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.9 m -56.46 -41.35 76.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 75.52 110.83 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -68.44 -26.46 65.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 75.34 110.908 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.745 HD13 ' OG ' ' A' ' 84' ' ' SER . 72.7 mt -69.13 -38.8 79.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 75.02 110.952 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.4 m -62.63 -17.43 60.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 73.22 111.112 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.39 -13.34 38.9 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 44.04 112.492 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.77 HD23 ' HD2' ' A' ' 80' ' ' LYS . 9.7 tp -91.04 -9.36 46.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.892 0.377 . . . . 74.23 110.917 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.706 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.01 -31.68 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 71.31 111.127 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -98.15 1.09 47.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 73.03 110.856 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -123.15 -58.42 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.492 . . . . 71.44 110.935 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 tt -113.79 73.5 2.25 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.557 0.694 . . . . 64.12 110.894 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 129.08 16.97 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.625 2.216 . . . . 74.53 112.357 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.7 m -100.44 -17.55 17.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 64.12 111.201 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -178.04 -170.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.795 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.3 p -63.29 -16.37 60.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 61.51 110.873 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.86 38.29 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 64.21 112.505 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -69.79 -68.57 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 63.33 110.9 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.77 ' HD2' HD23 ' A' ' 69' ' ' LEU . 9.4 mmtt -55.58 -27.29 48.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 75.14 110.897 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.706 ' HG2' HG21 ' A' ' 70' ' ' VAL . 9.9 mtt -77.58 -61.04 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 74.55 110.869 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 t -58.24 -26.18 62.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 73.21 111.088 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -76.64 -29.23 56.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 73.35 110.866 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.745 ' OG ' HD13 ' A' ' 66' ' ' LEU . 51.1 m -85.0 -25.94 27.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 64.01 110.859 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.647 ' HA ' HD12 ' A' ' 88' ' ' LEU . 1.6 mmmt -65.21 -24.48 67.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 71.13 110.901 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.07 -17.93 59.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.873 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.2 t -77.31 -23.03 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 65.43 111.147 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.67 HD11 HG21 ' A' ' 123' ' ' VAL . 4.1 mt -68.6 -35.89 77.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 61.45 110.974 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.509 ' O ' HG22 ' A' ' 92' ' ' THR . 1.9 tppp? -79.03 -34.75 43.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 73.45 110.883 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 t -81.04 -19.99 42.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 74.04 110.88 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.516 HD22 ' HB2' ' A' ' 59' ' ' PRO . 2.0 tp -71.31 -46.03 61.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 73.35 110.94 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.9 t -53.85 -27.3 29.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 72.43 111.159 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.5 -35.76 60.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 71.15 110.906 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -83.57 -22.94 32.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 72.43 110.914 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.61 HD23 ' SD ' ' A' ' 116' ' ' MET . 19.9 tp -82.52 -23.0 34.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 70.41 110.884 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -67.66 -32.83 73.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 70.04 110.905 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -12.49 60.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 65.32 110.868 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.32 -24.75 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 71.4 111.093 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 70.8 t -57.2 -23.29 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 51.33 111.131 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -89.5 -13.74 36.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 71.55 110.867 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.618 ' C ' HD12 ' A' ' 102' ' ' ILE . 3.3 mm? -104.4 69.4 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 72.41 110.966 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.618 HD12 ' C ' ' A' ' 101' ' ' LEU . 2.4 mp 49.93 79.88 0.32 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.625 0.726 . . . . 74.41 111.181 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 151.99 69.08 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.653 2.235 . . . . 64.44 112.325 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 p -82.56 -179.95 7.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 64.45 110.87 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.52 HG22 ' HA3' ' A' ' 43' ' ' GLY . 30.4 p -59.21 -178.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 72.53 111.139 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.48 1.46 41.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 52.32 110.865 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.605 ' O ' HD12 ' A' ' 111' ' ' LEU . 0.5 OUTLIER -94.0 -35.18 12.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 73.32 110.882 -179.835 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.734 ' HB2' ' NE2' ' A' ' 41' ' ' GLN . . . -81.13 -19.45 43.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 61.5 111.137 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.54 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -61.49 -57.51 24.62 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.615 0.721 . . . . 75.43 111.139 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.4 Cg_endo -69.79 -17.71 37.29 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.247 . . . . 72.05 112.363 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.687 HD13 HG13 ' A' ' 37' ' ' ILE . 2.6 mt -83.78 -55.07 4.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 73.1 110.912 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -60.24 -23.9 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 35.41 111.135 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -71.57 -23.75 77.65 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.72 -0.752 . . . . 62.44 112.516 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -78.06 -51.67 9.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 75.3 110.881 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.613 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 34.3 m-85 -63.96 -19.05 64.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 71.43 110.904 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.61 ' SD ' HD23 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -56.14 -64.93 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 71.14 110.873 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 36.1 mt -72.49 -25.02 61.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.261 -0.427 . . . . 74.14 110.886 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -52.0 -34.91 44.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 71.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 86.7 m -78.69 -30.8 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 71.35 111.138 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.669 ' HG2' HD13 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -71.1 -38.25 72.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 72.44 110.902 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.67 -45.32 87.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 73.35 110.855 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -52.04 -31.58 30.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 70.32 110.871 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.67 HG21 HD11 ' A' ' 88' ' ' LEU . 92.8 t -54.54 -26.76 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 70.31 111.114 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.66 ' HG3' HD11 ' A' ' 127' ' ' ILE . 8.9 tt0 -62.4 -19.95 63.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 71.41 110.88 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 7.2 m -54.81 -27.45 41.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 74.54 110.839 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.439 ' O ' HG23 ' A' ' 130' ' ' THR . 22.4 m -66.92 -56.56 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 62.44 110.81 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.66 HD11 ' HG3' ' A' ' 124' ' ' GLU . 24.6 pt -66.53 -24.1 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 51.13 111.126 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.9 tttm -70.77 -57.49 4.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 61.13 110.896 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 1.141 HD12 HG23 ' A' ' 19' ' ' VAL . 28.7 mt -61.4 -47.85 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 71.01 111.118 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.525 ' O ' HG12 ' A' ' 133' ' ' VAL . 71.7 p -58.75 -22.54 58.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 64.14 111.133 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -60.02 -18.63 47.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 74.02 110.866 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -83.64 -25.47 30.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 74.2 110.9 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 130' ' ' THR . 0.5 OUTLIER -64.76 -19.13 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 33.14 111.147 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.7 pp -63.09 -23.73 34.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 74.33 111.117 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.09 -31.77 32.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 74.11 110.884 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.93 -25.36 18.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 70.14 111.137 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -32.97 65.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.845 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -77.01 -46.79 22.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 73.02 110.864 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -56.92 -71.03 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 74.31 110.861 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 63.44 110.853 -179.799 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.717 ' HB3' HD13 ' A' ' 12' ' ' ILE . 2.1 m-70 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.802 0.334 . . . . 74.45 110.848 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.52 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -171.43 -47.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 72.4 111.1 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 32.1 mmt -80.24 -44.56 19.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 72.32 110.868 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.4 m -90.3 -18.96 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 64.01 111.096 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.717 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.46 -28.48 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 63.11 111.108 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.22 -23.43 62.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 52.31 110.887 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.37 -31.46 26.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 74.2 110.847 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.8 mm -56.05 -25.04 18.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 74.13 111.124 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.4 tp -51.98 -51.99 53.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 74.01 110.933 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -66.07 -18.8 65.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 72.53 110.898 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -76.99 -40.32 47.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 65.54 110.859 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.003 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.12 -27.78 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 52.54 111.136 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.717 ' HA ' HD12 ' A' ' 23' ' ' ILE . 3.0 t80 -80.83 -18.95 45.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 73.03 110.923 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -68.36 -53.55 23.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 74.44 110.844 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -41.29 71.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 64.43 110.905 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 20' ' ' PHE . 80.4 mt -52.48 -35.53 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 63.44 111.174 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.2 m -81.0 -25.56 37.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 72.35 110.919 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.24 -54.15 6.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 74.13 110.863 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.9 tp -56.49 -24.54 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 43.44 111.108 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.411 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -80.33 -15.98 77.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 74.41 112.474 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.0 m -91.99 -23.5 19.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.755 0.312 . . . . 71.04 111.11 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -84.04 -41.04 17.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 64.41 110.882 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.5 m -62.23 -17.99 59.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 45.44 110.839 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.54 HG22 ' CZ ' ' A' ' 52' ' ' PHE . 62.6 t -60.0 -20.81 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 71.31 111.117 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -87.76 -55.05 3.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 43.24 110.911 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.45 -25.91 18.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 72.31 111.126 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.01 -40.51 88.7 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.742 . . . . 73.03 112.507 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.44 -21.48 22.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.818 0.342 . . . . 73.41 110.892 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mp -78.89 -35.62 43.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 64.31 110.938 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.539 HG23 HD13 ' A' ' 111' ' ' LEU . 1.1 mp -76.18 -50.3 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 73.25 111.088 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.9 -56.45 20.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 71.32 110.903 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mp -51.48 -36.33 43.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 72.04 110.864 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -57.24 -39.42 75.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 61.53 110.843 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.604 ' HG3' ' HB2' ' A' ' 108' ' ' ALA . 14.3 mm-40 -85.13 -41.54 15.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 63.4 110.955 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.76 -35.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 71.43 110.919 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.63 -28.2 14.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.716 -0.754 . . . . 62.4 112.466 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 52.18 -153.68 5.76 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 34.24 112.478 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.33 -114.72 0.3 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 73.1 112.521 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.14 -121.03 12.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 65.44 112.48 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.22 158.53 3.2 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.781 -0.724 . . . . 75.35 112.479 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.45 -164.93 28.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 74.12 112.476 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -9.93 27.3 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.274 . . . . 75.12 112.319 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.504 ' O ' HG23 ' A' ' 54' ' ' VAL . 5.3 mt -73.36 -21.95 60.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 60.54 110.903 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -36.64 58.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 64.13 110.927 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.54 ' CZ ' HG22 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -63.14 -30.49 71.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 74.34 110.88 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.527 ' HA ' HG12 ' A' ' 56' ' ' VAL . 48.2 t -88.63 -27.92 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 74.43 111.122 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 50' ' ' LEU . 38.7 t -80.8 -28.98 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 74.32 111.14 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.15 -24.89 23.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.884 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.527 HG12 ' HA ' ' A' ' 53' ' ' VAL . 4.8 p -88.62 -28.31 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 61.45 111.129 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.0 mm -91.15 -25.88 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 73.4 111.151 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.496 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.1 mm-40 -51.01 -60.16 6.15 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.667 0.746 . . . . 73.41 110.857 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.5 Cg_endo -69.78 -34.27 14.85 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.706 2.271 . . . . 74.34 112.336 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.1 m -63.91 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 63.11 110.916 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -56.92 -57.63 11.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 75.2 110.887 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.54 -25.74 39.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 75.33 110.905 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -85.06 -24.86 27.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 75.51 110.848 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.65 -39.38 61.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 73.51 110.84 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.573 ' O ' HD23 ' A' ' 69' ' ' LEU . 26.0 mt-10 -76.25 -24.44 54.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 72.33 110.913 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.9 mt -72.87 -45.23 59.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 74.44 110.929 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.407 HG21 ' CD2' ' A' ' 20' ' ' PHE . 6.3 t -73.64 -7.49 52.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 52.41 111.154 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -106.39 -18.61 10.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 42.4 112.471 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 65' ' ' GLU . 2.5 mm? -91.04 -22.14 20.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 75.53 110.887 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.816 HG21 ' HG2' ' A' ' 81' ' ' MET . 17.4 t -89.19 -30.52 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 71.43 111.109 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -91.77 -2.06 57.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 73.04 110.87 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -102.92 -65.11 1.02 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.471 . . . . 74.23 110.897 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.3 mt -153.11 73.0 7.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.593 0.711 . . . . 73.41 110.873 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 129.22 17.21 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.723 2.282 . . . . 62.42 112.36 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -115.59 43.83 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 71.25 111.163 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 178.01 168.47 0.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 51.23 110.855 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 m -68.41 -12.35 61.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 74.54 110.86 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 169.41 42.07 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.744 -0.741 . . . . 70.34 112.502 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.534 ' O ' HG22 ' A' ' 82' ' ' THR . 3.6 mt-10 -51.97 -61.2 2.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.956 0.408 . . . . 72.44 110.908 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -81.07 -23.18 38.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 74.13 110.879 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.816 ' HG2' HG21 ' A' ' 70' ' ' VAL . 12.0 mtt -64.51 -48.16 76.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.415 . . . . 51.14 110.897 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 79' ' ' GLU . 5.8 t -53.46 -27.9 27.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 71.43 111.135 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.75 ' O ' HG23 ' A' ' 87' ' ' VAL . 8.4 tt0 -70.0 -33.02 71.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 75.23 110.888 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.7 t -64.37 -25.88 68.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 62.14 110.845 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.7 tttt -77.3 -27.88 53.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 73.35 110.931 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.1 t -87.07 -17.96 31.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 44.4 110.852 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 83' ' ' GLU . 84.3 t -76.4 -25.85 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 71.1 111.154 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.593 HD13 ' HB3' ' A' ' 120' ' ' LYS . 53.5 mt -86.01 -35.38 20.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 72.22 110.894 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.487 ' O ' HG22 ' A' ' 92' ' ' THR . 0.2 OUTLIER -79.09 -34.51 43.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 72.51 110.853 179.869 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.4 t -81.4 -19.97 41.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 61.21 110.848 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 91' ' ' LEU . 2.1 tp -71.49 -46.61 59.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 72.21 110.9 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.6 t -53.32 -27.57 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 50.35 111.13 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -42.4 62.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.21 -0.45 . . . . 50.33 110.889 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.64 -22.81 32.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 64.22 110.878 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.68 -22.85 53.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 61.43 110.878 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -83.0 -39.5 21.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 72.45 110.864 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.32 -12.33 60.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 72.53 110.909 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.73 -24.47 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 74.04 111.137 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.487 HG22 ' HB3' ' A' ' 103' ' ' PRO . 0.5 OUTLIER -58.0 -20.24 14.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 72.12 111.116 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -86.87 -16.85 34.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 73.55 110.904 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.744 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 tp -93.0 -67.2 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 64.14 110.913 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.744 HD12 ' HB3' ' A' ' 101' ' ' LEU . 3.3 mp -137.91 74.38 44.37 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.716 . . . . 75.44 111.12 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.487 ' HB3' HG22 ' A' ' 99' ' ' VAL . 54.0 Cg_endo -69.8 146.17 59.13 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.674 2.249 . . . . 63.35 112.371 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 60.7 p -127.18 -170.02 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 63.02 110.89 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 30.1 p -51.9 163.84 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 65.44 111.117 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 t -89.74 5.15 47.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 72.42 110.863 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 57.7 m -88.6 -32.01 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 71.53 110.879 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.604 ' HB2' ' HG3' ' A' ' 41' ' ' GLN . . . -80.41 -16.95 53.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 74.21 111.122 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.537 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -62.04 -57.58 22.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.626 0.727 . . . . 63.31 111.108 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.2 Cg_endo -69.72 -18.75 37.03 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.697 2.265 . . . . 73.43 112.36 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.539 HD13 HG23 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -83.42 -49.86 8.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 75.22 110.887 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.1 tt -56.79 -24.17 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 62.34 111.093 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -52.79 -27.18 27.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 54.04 112.477 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -75.93 -51.87 11.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.792 0.329 . . . . 73.52 110.914 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -69.28 -19.03 63.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 72.13 110.903 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.29 -64.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 75.03 110.916 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.71 -24.98 61.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 50.33 110.899 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -52.08 -55.32 21.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.847 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 97.2 m -63.53 -24.8 67.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 75.15 111.13 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.593 ' HB3' HD13 ' A' ' 88' ' ' LEU . 17.3 mttt -75.53 -41.12 55.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 64.32 110.864 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -62.22 -43.04 99.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 71.11 110.869 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -52.97 -33.74 52.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 75.23 110.879 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.533 HG21 HD21 ' A' ' 88' ' ' LEU . 28.1 t -54.86 -26.35 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 61.35 111.159 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.699 ' CD ' HD11 ' A' ' 127' ' ' ILE . 0.5 OUTLIER -61.15 -19.98 62.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 74.25 110.934 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.0 m -57.88 -39.64 78.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 74.2 110.86 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -56.52 20.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 62.23 110.833 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.699 HD11 ' CD ' ' A' ' 124' ' ' GLU . 25.8 pt -66.24 -24.28 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 74.24 111.135 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -70.79 -55.08 9.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 72.1 110.904 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 1.003 HD12 HG23 ' A' ' 19' ' ' VAL . 22.8 mt -57.09 -38.74 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 74.13 111.138 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 20.4 p -78.45 -22.54 47.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 54.03 111.155 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.19 -18.42 48.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 75.45 110.873 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -84.74 -19.85 32.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 54.22 110.852 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.465 HG21 HD13 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.66 -25.7 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 63.44 111.122 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.67 -22.87 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 75.24 111.121 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -82.4 -25.39 33.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 75.52 110.87 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.08 -43.99 7.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 52.12 111.134 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -60.56 -39.38 87.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 71.22 110.869 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -64.58 -43.86 92.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 63.21 110.835 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 11.3 mtt-85 -51.98 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 75.01 110.859 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 64.51 110.823 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.639 ' HB3' HD13 ' A' ' 12' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.8 0.333 . . . . 73.43 110.852 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.508 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -170.8 -47.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 42.42 111.085 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.19 -44.46 19.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 72.14 110.867 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.36 -18.96 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 65.43 111.107 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.639 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.3 OUTLIER -83.42 -28.47 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 33.25 111.114 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -79.35 -19.77 49.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 73.24 110.859 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -81.2 -43.01 19.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 73.14 110.853 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.3 mt -56.63 -25.15 20.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 71.52 111.13 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.4 tp -55.68 -38.07 69.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 54.51 110.927 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -18.82 65.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 74.22 110.92 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.77 -40.65 47.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 75.22 110.939 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.1 -27.76 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 61.31 111.132 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.797 ' HA ' HD12 ' A' ' 23' ' ' ILE . 3.5 t80 -80.8 -19.02 45.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 75.11 110.872 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -67.52 -54.93 15.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 72.22 110.886 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.425 ' O ' HG22 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -58.34 -39.42 79.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 74.44 110.934 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.797 HD12 ' HA ' ' A' ' 20' ' ' PHE . 46.9 mt -51.69 -34.91 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 70.34 111.186 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.97 -55.6 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 71.45 110.902 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -56.55 13.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.896 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 22' ' ' LYS . 10.2 tp -54.4 -26.96 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 70.5 111.145 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.4 -36.23 92.4 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 70.31 112.477 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.0 -20.97 20.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.771 0.32 . . . . 71.23 111.141 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -72.68 -39.57 66.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 61.41 110.863 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.34 -18.0 63.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 72.34 110.827 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.6 t -61.08 -20.51 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 72.12 111.181 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -86.26 -59.25 2.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 74.21 110.873 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.428 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -55.73 -22.63 24.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 63.4 111.146 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.06 -38.71 29.39 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.744 -0.741 . . . . 75.22 112.492 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.54 -23.38 23.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.811 0.339 . . . . 74.44 110.905 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mp -77.33 -39.16 48.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 71.5 110.88 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.523 HG23 HD13 ' A' ' 111' ' ' LEU . 1.3 mp -74.13 -40.63 51.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 75.51 111.14 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -65.01 -58.67 5.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 75.43 110.878 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.415 HD12 ' HA2' ' A' ' 43' ' ' GLY . 4.6 mp -50.55 -35.8 31.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 73.0 110.942 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.9 t -58.65 -38.68 78.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 63.43 110.849 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.456 ' NE2' HD12 ' A' ' 111' ' ' LEU . 1.8 mt-30 -84.13 -40.13 18.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 72.53 110.892 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -179.57 -34.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 74.32 110.938 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.415 ' HA2' HD12 ' A' ' 39' ' ' LEU . . . 95.95 -23.74 33.01 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 54.33 112.512 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.79 -176.57 5.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 73.51 112.458 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -140.34 -110.52 0.87 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 64.41 112.499 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.583 ' HA3' HG23 ' A' ' 102' ' ' ILE . . . 52.58 -128.99 37.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 65.11 112.47 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.06 -179.83 0.42 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.685 -0.769 . . . . 24.33 112.461 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.49 179.92 51.51 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 73.54 112.447 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -10.87 29.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.643 2.229 . . . . 72.14 112.329 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.518 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -79.28 -21.96 45.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 74.3 110.913 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.57 -29.43 66.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 63.53 110.92 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -60.79 -62.06 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 70.4 110.895 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.509 HG22 ' CG1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -69.73 -26.56 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 71.02 111.14 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 t -72.63 -32.97 43.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 61.11 111.096 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -89.16 -24.66 22.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.866 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.5 t -85.93 -44.94 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 74.53 111.129 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.509 ' CG1' HG22 ' A' ' 53' ' ' VAL . 24.5 mm -75.21 -22.56 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 73.51 111.097 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.49 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.1 mt-10 -51.89 -60.52 5.91 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.608 0.718 . . . . 74.2 110.893 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.602 ' HB2' HD22 ' A' ' 91' ' ' LEU . 53.9 Cg_endo -69.76 -25.92 28.11 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.676 2.251 . . . . 74.21 112.335 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -35.93 81.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.873 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -58.99 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.876 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -55.72 -25.55 40.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 65.25 110.901 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.4 ' HA ' HD12 ' A' ' 66' ' ' LEU . 2.4 t80 -83.41 -24.79 31.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 71.41 110.92 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.09 -42.86 95.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 64.4 110.83 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -64.15 -28.47 69.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 75.32 110.898 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.738 HD13 ' OG ' ' A' ' 84' ' ' SER . 70.6 mt -66.67 -38.04 85.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 70.11 110.919 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.4 p -62.91 -16.25 58.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 60.01 111.122 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.06 -13.47 36.57 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 72.2 112.49 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.773 HD23 ' HD2' ' A' ' 80' ' ' LYS . 9.1 tp -91.03 -11.99 37.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.8 0.334 . . . . 74.12 110.906 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.73 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.04 -31.8 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 65.35 111.105 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -96.34 1.02 51.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 60.52 110.879 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -126.88 -48.08 1.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 75.43 110.882 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 26.9 tp -117.65 68.31 5.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.65 0.738 . . . . 71.22 110.924 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 129.19 17.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.713 2.275 . . . . 72.13 112.35 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.5 m -109.67 -16.65 13.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 74.33 111.095 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -177.91 -171.24 0.28 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 71.21 110.883 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.81 -16.81 59.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 64.25 110.907 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.0 39.16 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.782 -0.723 . . . . 52.53 112.526 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.67 -58.35 5.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 74.43 110.924 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.773 ' HD2' HD23 ' A' ' 69' ' ' LEU . 3.2 mmtm -69.33 -29.78 67.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 72.51 110.886 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.73 ' HG2' HG21 ' A' ' 70' ' ' VAL . 11.0 mtt -72.16 -58.27 3.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 71.13 110.899 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.4 t -56.71 -26.46 56.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 50.43 111.117 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -78.18 -22.05 49.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 72.24 110.869 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.738 ' OG ' HD13 ' A' ' 66' ' ' LEU . 20.0 m -84.99 -25.89 27.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 74.35 110.86 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.68 ' HA ' HD12 ' A' ' 88' ' ' LEU . 14.8 mttt -66.54 -35.72 80.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 63.4 110.892 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.14 -18.03 59.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 55.43 110.862 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.3 t -84.36 -23.28 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 75.14 111.108 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.68 HD12 ' HA ' ' A' ' 85' ' ' LYS . 1.6 mt -69.42 -35.74 76.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 70.22 110.936 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.496 ' O ' HG22 ' A' ' 92' ' ' THR . 14.0 mttp -79.03 -34.56 43.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 64.21 110.878 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.3 t -81.22 -20.04 41.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 72.24 110.873 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.602 HD22 ' HB2' ' A' ' 59' ' ' PRO . 2.1 tp -71.54 -46.13 60.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 74.23 110.944 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.1 t -53.79 -27.26 28.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 62.34 111.138 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -54.78 -30.79 57.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 73.52 110.909 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.58 -23.08 32.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 71.34 110.863 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.03 -40.75 19.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 72.24 110.893 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -62.76 -23.97 67.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 64.4 110.903 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -9.91 59.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 75.32 110.914 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -50.18 -25.21 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 53.54 111.158 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.1 t -58.27 -19.69 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 65.24 111.113 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -87.35 -14.93 39.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 64.24 110.863 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.641 ' C ' HD13 ' A' ' 102' ' ' ILE . 1.1 mp -110.55 -68.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.25 110.891 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.641 HD13 ' C ' ' A' ' 101' ' ' LEU . 3.2 mm -122.42 72.83 39.44 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 73.51 111.074 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 116.54 4.61 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.718 2.279 . . . . 74.32 112.288 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.0 t -105.66 -170.18 1.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 62.53 110.863 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 33.5 p -52.6 138.3 28.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 73.3 111.109 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.55 -8.6 56.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 62.32 110.821 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.3 m -79.56 -31.5 41.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 54.53 110.856 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.92 -17.01 54.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 72.54 111.057 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.539 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -54.69 -57.56 18.49 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.611 0.719 . . . . 60.13 111.105 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.76 -31.76 19.88 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.65 2.233 . . . . 74.54 112.36 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.523 HD13 HG23 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -67.62 -59.26 3.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 64.41 110.974 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.1 tp -56.14 -24.97 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 70.11 111.099 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.33 -21.04 46.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.727 . . . . 62.52 112.449 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -43.75 25.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 71.11 110.9 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.428 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 72.0 m-85 -68.12 -21.69 64.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 72.22 110.906 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 12.3 mtp -68.18 -53.49 24.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 53.13 110.886 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 19.8 mt -56.36 -25.03 47.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 74.03 110.891 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -52.0 -30.17 24.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.852 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 3.2 m -80.0 -34.36 38.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 71.2 111.16 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.465 ' O ' HG12 ' A' ' 123' ' ' VAL . 0.8 OUTLIER -76.09 -28.1 57.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 74.55 110.871 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -85.48 -17.28 36.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 73.32 110.893 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.55 -44.05 62.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 75.42 110.869 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.465 HG12 ' O ' ' A' ' 120' ' ' LYS . 7.6 p -57.19 -23.67 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 73.22 111.113 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -60.52 -20.19 59.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 72.43 110.852 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.5 t -69.68 -20.76 63.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 72.13 110.893 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.43 -55.94 6.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 73.03 110.879 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 28.5 pt -57.36 -25.08 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 72.32 111.095 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -78.13 -33.84 50.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 70.24 110.889 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 64.8 mt -76.45 -54.69 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 64.11 111.149 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.0 p -59.6 -22.49 61.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 72.31 111.165 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.18 -18.45 48.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 75.4 110.904 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.71 -19.85 32.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 74.32 110.89 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.67 -25.73 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 55.2 111.122 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.6 -22.94 14.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 72.32 111.107 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.37 -25.34 33.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 63.02 110.92 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.06 -44.02 7.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 72.52 111.163 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -60.36 -40.65 91.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 73.54 110.854 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -63.3 -43.05 98.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 74.53 110.871 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 12.3 mtt-85 -52.01 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 72.32 110.866 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 53.45 110.878 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.598 ' CB ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.791 0.329 . . . . 62.43 110.841 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.52 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -171.22 -47.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 54.42 111.088 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 28.4 mmt -80.2 -44.51 19.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 74.14 110.905 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 t -90.29 -18.94 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 75.22 111.141 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.686 HD12 HG21 ' A' ' 133' ' ' VAL . 0.3 OUTLIER -83.42 -28.46 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 74.01 111.145 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -72.37 -18.27 61.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 73.43 110.846 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -83.47 -47.48 11.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 71.32 110.81 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.0 mt -56.16 -24.98 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 65.4 111.109 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 tp -51.94 -51.46 56.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 75.55 110.883 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -65.38 -18.86 65.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.883 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.73 -40.26 49.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 73.31 110.95 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.581 HG23 HD13 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.16 -27.7 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 73.12 111.149 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.742 ' HA ' HD12 ' A' ' 23' ' ' ILE . 2.4 t80 -80.89 -18.97 45.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 64.45 110.901 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -68.32 -56.55 8.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 72.34 110.823 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -51.53 -41.05 60.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 70.34 110.934 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.742 HD12 ' HA ' ' A' ' 20' ' ' PHE . 68.0 mt -54.19 -34.76 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 54.01 111.157 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -25.72 61.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 65.21 110.911 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.99 -46.54 11.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 62.22 110.934 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.6 tp -56.48 -24.52 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 71.41 111.142 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.738 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.81 -41.7 93.44 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.771 -0.728 . . . . 54.43 112.478 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -27.66 28.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.754 0.311 . . . . 75.33 111.175 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -70.83 -38.84 73.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.9 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.6 p -82.04 -17.97 44.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 72.35 110.839 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 27' ' ' GLY . 61.8 t -73.83 -20.76 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.22 111.091 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -87.6 -55.41 3.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 65.13 110.877 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.76 -25.93 21.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 73.22 111.102 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.5 -41.02 90.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 72.44 112.529 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.567 ' O ' HD22 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -89.66 -21.84 22.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 52.21 110.891 -179.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mp -77.89 -35.05 51.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.919 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mp -77.34 -52.41 16.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 73.11 111.088 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -54.75 -51.36 65.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 74.02 110.849 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.567 HD22 ' O ' ' A' ' 35' ' ' ARG . 2.0 mp -50.87 -35.42 32.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 55.44 110.879 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 m -82.91 -29.6 29.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 72.23 110.864 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.681 ' CD ' ' HB2' ' A' ' 108' ' ' ALA . 6.8 mm-40 -60.03 97.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 72.12 110.938 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -140.89 12.35 2.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 73.13 110.891 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.97 -25.56 55.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 73.43 112.504 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -131.41 -88.23 0.44 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 64.22 112.459 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 153.19 140.93 3.17 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.706 -0.759 . . . . 53.41 112.473 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.78 -169.28 38.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.711 -0.757 . . . . 73.43 112.458 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.35 -174.34 0.47 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 44.03 112.46 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -98.89 -165.05 30.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.717 -0.754 . . . . 73.13 112.481 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -9.98 27.42 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.708 2.272 . . . . 53.4 112.298 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mt -73.64 -29.67 62.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 75.54 110.932 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -35.47 77.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 64.24 110.891 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.518 ' HD2' HG23 ' A' ' 53' ' ' VAL . 1.8 t80 -64.62 -46.27 83.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 63.32 110.933 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.518 HG23 ' HD2' ' A' ' 52' ' ' PHE . 55.3 t -76.67 -29.38 18.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 71.35 111.172 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.0 t -76.18 -31.57 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 75.04 111.091 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.412 HD22 ' N ' ' A' ' 55' ' ' ASN . 1.6 m-80 -88.66 -24.89 22.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 53.13 110.883 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.6 t -86.06 -44.5 16.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 73.14 111.169 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.4 mm -75.31 -22.89 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 64.54 111.124 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.482 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.77 -60.46 5.96 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.67 0.748 . . . . 75.53 110.897 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.7 Cg_endo -69.8 -25.5 28.35 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.692 2.261 . . . . 73.34 112.354 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -33.17 75.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.32 110.904 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -55.76 -58.45 7.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 71.15 110.918 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -25.48 40.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 74.23 110.883 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.465 ' CG ' HD12 ' A' ' 66' ' ' LEU . 2.2 t80 -84.14 -24.93 30.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 74.33 110.893 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -40.26 69.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 52.43 110.877 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -68.92 -25.97 64.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 74.2 110.917 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.699 HD13 ' OG ' ' A' ' 84' ' ' SER . 61.2 mt -70.12 -39.28 75.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.935 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.7 m -62.61 -17.65 60.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 73.33 111.163 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.11 -13.17 40.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.792 -0.718 . . . . 51.13 112.504 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.764 HD23 ' HD2' ' A' ' 80' ' ' LYS . 9.7 tp -91.01 -9.44 45.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.369 . . . . 71.5 110.914 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.705 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -94.98 -31.67 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 72.12 111.149 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.45 ' HZ ' HG21 ' A' ' 129' ' ' ILE . 44.1 m-85 -98.05 1.03 47.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 62.45 110.887 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -123.09 -58.61 1.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 72.31 110.908 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.2 tp -113.74 73.57 2.23 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.631 0.729 . . . . 75.22 110.909 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 129.06 16.95 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 72.54 112.334 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 49.0 m -100.63 -17.17 17.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 71.2 111.158 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -178.02 -170.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 63.43 110.862 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.5 t -62.98 -16.62 60.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 64.44 110.87 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.76 38.99 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 74.23 112.493 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.84 -69.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.946 0.403 . . . . 70.52 110.875 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.764 ' HD2' HD23 ' A' ' 69' ' ' LEU . 9.8 mmtt -54.56 -26.94 35.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 73.55 110.929 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.705 ' HG2' HG21 ' A' ' 70' ' ' VAL . 9.4 mtt -78.16 -61.05 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 72.44 110.858 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 t -58.39 -26.25 63.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 73.32 111.14 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -77.49 -30.91 53.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 72.34 110.887 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.699 ' OG ' HD13 ' A' ' 66' ' ' LEU . 54.2 m -85.1 -25.69 27.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 71.4 110.847 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -65.41 -28.61 69.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 74.21 110.897 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.41 -18.06 62.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 70.44 110.833 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.8 t -79.91 -22.99 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 75.03 111.135 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.739 HD11 HG21 ' A' ' 123' ' ' VAL . 11.8 mt -68.71 -36.1 78.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 61.54 110.929 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.507 ' O ' HG22 ' A' ' 92' ' ' THR . 7.8 ttmm -79.32 -34.39 42.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 74.42 110.869 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -81.19 -19.96 42.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 75.53 110.844 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 91' ' ' LEU . 2.1 tp -70.96 -46.04 63.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 72.41 110.9 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.507 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.8 t -53.57 -27.46 26.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 75.54 111.16 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -51.95 -39.6 59.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.905 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.7 -22.93 31.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 51.45 110.843 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.05 -41.1 62.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 63.43 110.936 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -64.32 -29.04 70.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 75.04 110.898 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -12.49 61.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 63.33 110.909 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.84 -24.31 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 75.51 111.115 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.498 HG22 ' HB3' ' A' ' 103' ' ' PRO . 0.5 OUTLIER -58.25 -20.0 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 70.05 111.129 179.859 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.59 -15.75 36.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 75.21 110.9 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.96 -66.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 72.44 110.898 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.431 ' H ' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -143.21 73.96 17.72 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.71 . . . . 45.35 111.103 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.498 ' HB3' HG22 ' A' ' 99' ' ' VAL . 53.6 Cg_endo -69.69 79.07 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.722 2.281 . . . . 65.2 112.345 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.04 -74.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 53.41 110.861 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -155.41 176.99 11.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 73.55 111.157 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 34.2 m -88.26 7.41 32.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 50.31 110.833 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.699 ' O ' HD23 ' A' ' 111' ' ' LEU . 40.4 m -83.1 -46.37 12.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 55.15 110.858 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.681 ' HB2' ' CD ' ' A' ' 41' ' ' GLN . . . -79.84 -17.01 54.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 74.31 111.112 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.531 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -53.4 -57.52 16.6 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.62 0.724 . . . . 63.45 111.146 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.9 Cg_endo -69.75 -33.46 16.59 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.677 2.251 . . . . 74.43 112.321 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.699 HD23 ' O ' ' A' ' 107' ' ' SER . 2.8 mm? -51.95 -59.65 4.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 53.3 110.909 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 7.2 tt -56.12 -24.99 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 73.31 111.102 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -67.89 -32.76 78.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.72 . . . . 73.44 112.489 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -71.79 -46.56 57.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 74.11 110.915 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -77.8 -18.97 55.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 71.4 110.917 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -64.97 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 61.44 110.879 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.0 tt -60.66 -25.02 66.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 75.11 110.913 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -52.03 -30.31 24.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 71.11 110.881 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 123' ' ' VAL . 1.1 m -87.05 -27.86 22.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 63.42 111.155 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.65 -44.8 66.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 72.43 110.881 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.09 -31.96 73.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 73.5 110.905 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -63.97 -25.99 68.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 72.31 110.884 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.739 HG21 HD11 ' A' ' 88' ' ' LEU . 12.3 t -68.2 -23.03 28.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 63.43 111.074 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.81 -20.03 65.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 71.42 110.906 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.9 m -75.22 -19.96 59.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 73.12 110.844 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.7 m -63.27 -40.49 97.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 43.15 110.814 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.455 ' H ' HD12 ' A' ' 127' ' ' ILE . 1.7 mp -83.99 -24.8 7.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 72.33 111.09 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -46.91 31.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 62.03 110.896 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.581 HD13 HG23 ' A' ' 19' ' ' VAL . 1.4 tp -57.24 -28.14 29.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 63.31 111.163 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.547 ' O ' HG12 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -76.08 -22.55 55.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 72.12 111.155 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -60.02 -18.65 47.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 74.44 110.889 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.99 -31.91 25.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 51.33 110.909 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.686 HG21 HD12 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -60.14 -19.97 19.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.495 . . . . 45.23 111.179 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.6 pp -61.18 -23.6 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 72.12 111.139 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -56.59 -33.88 66.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.885 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.17 -31.46 19.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 63.25 111.157 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -66.33 -33.47 75.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 72.3 110.864 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -76.77 -51.17 11.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.4 110.838 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -53.57 -69.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 64.44 110.843 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.24 110.872 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.705 ' HB3' HD13 ' A' ' 12' ' ' ILE . 7.1 m-70 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.842 0.353 . . . . 72.05 110.816 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.518 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -171.58 -47.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 75.3 111.098 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -44.55 19.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 72.43 110.806 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 t -90.27 -18.95 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 63.35 111.118 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.705 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.49 -28.4 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 73.5 111.123 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -74.27 -20.51 60.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 53.43 110.851 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -83.05 -46.21 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.875 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.0 mt -56.25 -24.96 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 51.24 111.136 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.93 -54.1 33.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 62.21 110.933 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -61.61 -18.9 61.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.14 110.907 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 t -77.57 -38.53 48.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 74.41 110.895 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.066 HG23 HD12 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -88.14 -28.22 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 73.53 111.092 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.665 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.93 -18.97 45.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 72.45 110.874 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -71.52 -58.02 3.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.882 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -51.49 -41.37 60.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 71.52 110.935 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.665 HD12 ' HA ' ' A' ' 20' ' ' PHE . 59.7 mt -54.1 -34.98 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 73.32 111.129 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.2 m -81.02 -20.99 40.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 65.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -84.32 -59.04 2.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.872 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.2 tp -71.87 -19.99 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 74.41 111.174 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.62 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -78.65 -31.04 46.39 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 71.03 112.482 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 t -91.99 -21.0 20.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.732 0.301 . . . . 71.24 111.155 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -68.55 -32.8 73.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 65.44 110.9 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.99 -25.39 34.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 72.12 110.861 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 27' ' ' GLY . 58.1 t -70.72 -20.51 22.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 62.52 111.101 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -87.33 -55.6 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 73.21 110.881 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.24 -26.05 16.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 73.05 111.081 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.62 -39.79 90.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 63.1 112.478 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.92 -23.35 22.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.341 . . . . 64.2 110.842 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -77.75 -35.5 51.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.93 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.614 HG12 HD22 ' A' ' 111' ' ' LEU . 1.1 mp -75.83 -50.35 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 71.01 111.134 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -55.8 -57.09 13.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 62.33 110.916 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.1 mp -51.47 -36.59 45.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 75.12 110.896 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -56.36 -38.31 71.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 72.35 110.874 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.674 ' CB ' HG21 ' A' ' 105' ' ' THR . 18.0 mm-40 -85.15 -39.88 17.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 53.44 110.888 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -179.45 -34.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 64.45 110.884 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.39 -26.27 16.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 71.25 112.465 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.61 -155.24 44.87 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.712 -0.756 . . . . 70.4 112.524 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.432 ' O ' HG23 ' A' ' 102' ' ' ILE . . . -155.25 157.17 27.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 70.24 112.535 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.57 106.05 1.3 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 70.04 112.504 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.66 138.17 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 35.54 112.5 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.4 -165.39 26.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 24.51 112.5 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -9.38 25.96 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.676 2.251 . . . . 74.25 112.328 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mt -75.72 -40.28 55.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.22 110.934 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.8 -36.14 79.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 73.02 110.883 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.508 ' HE2' HG13 ' A' ' 31' ' ' VAL . 8.5 t80 -64.24 -43.48 94.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 73.21 110.885 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.2 t -78.9 -29.24 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 63.43 111.104 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 t -76.58 -30.97 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 65.11 111.153 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -88.7 -24.66 22.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 74.34 110.934 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.8 t -86.71 -44.27 16.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 63.13 111.153 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.4 mm -75.03 -23.35 17.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 71.01 111.105 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.482 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.8 mt-10 -51.97 -60.57 5.84 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.624 0.726 . . . . 35.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 54.0 Cg_endo -69.78 -23.8 30.32 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.707 2.271 . . . . 71.21 112.338 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -33.91 76.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 65.2 110.879 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -52.19 -57.83 8.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 73.14 110.855 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -25.38 41.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 63.31 110.918 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.05 -24.82 30.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 64.43 110.867 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.48 -39.59 67.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 61.41 110.827 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -65.3 -25.95 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 51.21 110.893 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.1 mt -67.9 -34.41 76.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 52.23 110.944 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.2 m -62.69 -19.37 63.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 70.14 111.151 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.2 -13.6 38.64 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.744 . . . . 51.43 112.515 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.801 HD23 ' HD2' ' A' ' 80' ' ' LYS . 10.9 tp -91.09 -9.31 46.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 63.13 110.881 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.587 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.8 t -94.99 -31.75 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 72.44 111.122 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.526 ' CE2' HG23 ' A' ' 130' ' ' THR . 31.9 m-85 -98.02 1.05 47.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.859 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -123.02 -58.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 71.52 110.956 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tt -113.78 73.6 2.27 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.661 0.743 . . . . 73.3 110.901 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 129.14 17.11 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.705 2.27 . . . . 63.22 112.327 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.2 m -103.41 -15.89 15.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 74.2 111.118 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -177.99 -170.71 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 74.2 110.881 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.24 -16.52 60.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 42.41 110.854 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.07 38.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.684 -0.769 . . . . 51.12 112.471 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.9 -55.01 16.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 73.5 110.923 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.801 ' HD2' HD23 ' A' ' 69' ' ' LEU . 10.3 mmtt -77.11 -19.97 56.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.881 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.587 ' HG2' HG21 ' A' ' 70' ' ' VAL . 13.2 mtt -80.08 -51.64 8.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 61.34 110.883 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.6 t -56.27 -27.23 54.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 71.03 111.138 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -85.31 -19.91 30.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 75.12 110.884 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 75.3 m -82.84 -26.54 31.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 54.12 110.845 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.83 -37.8 39.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 75.25 110.901 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -17.93 59.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 52.31 110.858 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.31 -35.06 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 72.54 111.111 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 80.3 mt -86.06 -33.14 21.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 73.13 110.928 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.416 ' O ' HG22 ' A' ' 92' ' ' THR . 2.6 mtpt -74.22 -37.81 63.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.5 110.921 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.6 t -81.1 -19.91 42.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.875 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 91' ' ' LEU . 2.3 tp -77.52 -48.75 16.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 71.03 110.904 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.8 t -53.72 -27.54 28.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 62.32 111.114 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.84 -38.49 56.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 75.51 110.9 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.62 -22.94 32.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 74.54 110.874 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.5 tp -78.57 -22.95 46.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 64.43 110.912 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -66.33 -31.65 72.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 63.03 110.925 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -12.52 61.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 75.34 110.842 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -52.17 -24.41 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 71.0 111.141 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.7 p -58.59 -19.81 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.45 111.128 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -88.45 -13.95 39.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 62.33 110.93 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.637 ' C ' HD13 ' A' ' 102' ' ' ILE . 1.3 mp -111.34 -69.61 0.86 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 61.14 110.856 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.637 HD13 ' C ' ' A' ' 101' ' ' LEU . 3.0 mm -121.62 71.97 28.94 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.636 0.732 . . . . 71.14 111.089 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -170.9 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 74.2 112.332 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.0 p -128.16 -170.02 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 65.01 110.887 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.674 HG21 ' CB ' ' A' ' 41' ' ' GLN . 60.8 p -86.47 -178.49 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 75.15 111.129 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.69 -7.32 59.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 62.15 110.834 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.05 -31.94 8.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 75.33 110.833 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.548 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -80.6 -17.0 52.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 52.02 111.064 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.545 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -56.49 -57.56 22.5 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.645 0.736 . . . . 74.31 111.091 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.1 Cg_endo -69.81 -23.82 30.17 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.26 . . . . 63.03 112.364 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.614 HD22 HG12 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -72.33 -60.05 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 74.45 110.9 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.548 HG22 ' O ' ' A' ' 108' ' ' ALA . 10.6 tp -66.41 -25.87 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 75.23 111.141 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.95 -26.12 69.91 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.706 -0.759 . . . . 73.43 112.482 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -84.52 -45.77 12.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.79 0.329 . . . . 71.22 110.877 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -57.24 -42.71 82.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 72.3 110.94 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -63.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 73.41 110.892 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.4 tp -61.67 -26.4 67.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 53.22 110.896 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -52.1 -60.89 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 63.25 110.884 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 54.9 m -58.84 -45.17 90.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.51 111.088 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.27 -32.36 66.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 72.04 110.87 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.74 -23.58 56.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 75.44 110.926 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -80.95 -24.47 38.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 65.32 110.894 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.1 t -58.47 -23.13 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 74.23 111.149 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -69.19 -23.07 63.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 64.33 110.882 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.9 -27.88 46.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 74.52 110.88 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.632 ' HA ' HG21 ' A' ' 19' ' ' VAL . 3.1 m -58.92 -40.68 85.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 71.44 110.89 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.444 ' H ' HD12 ' A' ' 127' ' ' ILE . 1.8 mp -83.86 -38.76 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 53.43 111.105 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -50.44 63.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.904 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 1.066 HD12 HG23 ' A' ' 19' ' ' VAL . 23.3 mt -60.72 -55.28 25.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 64.04 111.108 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.54 ' O ' HG12 ' A' ' 133' ' ' VAL . 0.8 OUTLIER -58.08 -22.53 50.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 63.21 111.121 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -59.98 -18.62 47.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 73.5 110.94 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.0 -28.44 27.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 71.22 110.868 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' ' 130' ' ' THR . 0.5 OUTLIER -63.82 -19.53 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 63.11 111.122 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.6 pp -62.84 -23.17 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 75.14 111.157 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.13 -32.01 33.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 60.21 110.888 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.48 -36.69 11.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 70.31 111.151 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -20.21 66.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 63.21 110.846 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -87.12 -46.23 9.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.872 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -54.55 -73.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.852 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 74.32 110.87 -179.808 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.627 ' HB3' HD13 ' A' ' 12' ' ' ILE . 24.2 m-70 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.793 0.33 . . . . 74.31 110.832 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.515 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -168.89 -47.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 70.21 111.096 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 29.5 mmt -80.08 -44.51 19.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 62.41 110.918 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.7 t -90.31 -18.98 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 64.43 111.119 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.627 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.3 OUTLIER -83.43 -28.52 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 72.23 111.138 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -74.18 -18.51 60.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 64.23 110.89 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -81.4 -44.39 17.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 61.12 110.865 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.2 mt -53.14 -28.9 15.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 75.3 111.113 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -41.49 74.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 71.44 110.889 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -66.67 -18.87 65.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 64.54 110.861 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 t -76.72 -40.79 47.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 41.02 110.874 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.781 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.11 -27.8 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 53.14 111.124 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.404 ' HA ' HD12 ' A' ' 23' ' ' ILE . 3.8 t80 -80.79 -18.97 45.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 62.44 110.891 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -67.05 -48.58 67.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 70.12 110.892 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -39.31 75.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 52.33 110.878 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 20' ' ' PHE . 85.1 mt -53.42 -35.13 24.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 71.42 111.127 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.7 m -80.84 -53.14 6.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 74.04 110.903 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -54.31 -58.13 8.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 60.34 110.934 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.94 -22.78 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 64.51 111.167 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.32 -25.22 74.93 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.774 -0.727 . . . . 71.34 112.489 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.9 p -92.04 -22.77 19.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.746 0.308 . . . . 72.31 111.152 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -72.58 -37.73 68.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 73.45 110.824 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -18.31 65.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 63.32 110.839 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.7 t -59.93 -20.79 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 63.4 111.133 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.7 -55.12 3.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 73.32 110.869 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.508 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -53.5 -25.97 18.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 74.14 111.057 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.87 -40.55 89.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 52.34 112.501 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.4 -21.59 22.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.364 . . . . 63.04 110.902 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 mp -78.86 -35.56 43.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.882 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mp -76.3 -50.43 22.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 54.24 111.128 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -55.72 -56.31 21.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.891 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mp -51.39 -36.66 44.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.878 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 t -57.13 -39.1 74.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 54.44 110.825 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.514 ' HG3' ' HB2' ' A' ' 108' ' ' ALA . 26.8 mm-40 -85.14 -40.65 16.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 73.55 110.944 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -179.45 -34.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 61.2 110.905 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.22 -27.4 17.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 71.43 112.481 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.47 60.51 0.34 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.746 -0.74 . . . . 64.32 112.487 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.92 -115.18 3.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 63.15 112.507 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.57 95.49 0.15 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.722 . . . . 71.44 112.471 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.18 -140.83 26.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.679 -0.772 . . . . 71.14 112.52 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -97.98 179.13 32.46 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 72.52 112.497 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -10.89 29.66 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.669 2.246 . . . . 64.23 112.344 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.516 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -78.81 -21.97 46.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 64.45 110.925 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -32.99 74.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 74.13 110.897 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -66.71 -35.53 80.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 75.23 110.891 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.523 ' HA ' HG12 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -85.77 -25.96 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 64.55 111.088 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 50' ' ' LEU . 44.2 t -82.9 -28.18 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 53.14 111.128 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -89.36 -24.75 21.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 73.32 110.872 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.523 HG12 ' HA ' ' A' ' 53' ' ' VAL . 5.1 p -88.5 -28.35 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 74.35 111.159 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 35.1 mm -91.3 -25.76 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 72.12 111.143 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.498 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -50.95 -60.31 5.83 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.662 0.744 . . . . 73.13 110.88 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.672 ' HB2' HD22 ' A' ' 91' ' ' LEU . 53.6 Cg_endo -69.7 -34.45 14.74 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 73.03 112.374 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.3 m -63.81 -30.3 71.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 61.44 110.874 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -56.97 -57.64 11.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 71.21 110.915 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -55.47 -25.96 39.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 63.14 110.907 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -84.76 -24.95 28.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 61.24 110.88 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.3 m -60.2 -44.03 95.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 72.53 110.848 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.18 -29.4 70.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 71.34 110.89 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.692 HD13 ' OG ' ' A' ' 84' ' ' SER . 37.8 mt -64.12 -31.98 73.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 63.43 110.912 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.0 m -62.54 -20.74 64.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 61.21 111.145 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -97.27 -12.59 48.23 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.757 -0.735 . . . . 65.1 112.445 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.784 HD23 ' HD2' ' A' ' 80' ' ' LYS . 13.2 tp -89.63 -17.29 28.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 64.01 110.919 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.633 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.5 t -86.79 -32.1 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 42.52 111.136 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -90.08 -7.16 54.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 73.42 110.911 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -93.42 -68.45 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 71.54 110.935 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.11 74.39 21.34 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.639 0.733 . . . . 70.31 110.96 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 129.03 16.89 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.692 2.261 . . . . 42.42 112.319 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.404 ' O ' HG22 ' A' ' 75' ' ' THR . 19.5 m -71.91 -9.26 58.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 55.24 111.128 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -177.86 -169.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 74.02 110.845 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.48 -17.84 56.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 71.23 110.874 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.27 38.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 65.53 112.504 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -70.38 -35.06 73.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.922 0.391 . . . . 64.11 110.906 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.784 ' HD2' HD23 ' A' ' 69' ' ' LEU . 1.1 mmtt -81.08 -33.81 33.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 71.54 110.893 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.633 ' HG2' HG21 ' A' ' 70' ' ' VAL . 6.6 mtm -77.22 -47.45 20.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 71.45 110.927 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.9 t -53.25 -29.66 33.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 61.12 111.149 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -81.62 -29.21 33.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 73.41 110.849 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.692 ' OG ' HD13 ' A' ' 66' ' ' LEU . 4.6 m -77.98 -26.6 48.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 51.12 110.885 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.535 ' HA ' HD12 ' A' ' 88' ' ' LEU . 24.1 ttpt -63.07 -19.99 64.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 74.53 110.916 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.94 -17.92 48.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 63.14 110.86 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.5 t -74.13 -25.56 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 65.43 111.104 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.797 HD11 HG21 ' A' ' 123' ' ' VAL . 2.3 mt -68.62 -35.65 77.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 73.02 110.903 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.491 ' O ' HG22 ' A' ' 92' ' ' THR . 0.0 OUTLIER -77.89 -35.26 51.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.879 179.842 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.2 m -81.32 -19.99 41.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 72.13 110.851 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.672 HD22 ' HB2' ' A' ' 59' ' ' PRO . 2.2 tp -72.88 -46.91 50.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 72.42 110.94 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.3 t -53.7 -27.51 28.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 62.52 111.104 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -35.87 60.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 61.32 110.918 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.56 -23.01 32.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.506 . . . . 73.32 110.925 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.0 tp -78.77 -38.48 38.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 73.54 110.943 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.449 ' O ' HG23 ' A' ' 99' ' ' VAL . 10.8 mttt -65.53 -29.91 70.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.856 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.69 -12.37 61.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.918 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.65 -24.52 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 71.42 111.14 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 96' ' ' LYS . 23.4 t -58.03 -20.28 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 54.24 111.154 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -88.24 -15.94 34.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 63.32 110.894 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.51 -67.35 0.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 63.32 110.901 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.423 ' H ' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -144.61 74.22 15.19 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.599 0.714 . . . . 72.12 111.132 179.869 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 78.67 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.64 2.227 . . . . 62.12 112.352 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.93 -74.46 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 70.13 110.871 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.609 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.8 OUTLIER -55.34 100.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 42.22 111.164 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.0 m -98.25 -33.86 10.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 55.55 110.823 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.33 -31.44 54.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 72.02 110.871 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.514 ' HB2' ' HG3' ' A' ' 41' ' ' GLN . . . -80.36 -17.0 53.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 75.23 111.099 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 105' ' ' THR . 2.1 t -51.75 -57.53 14.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.592 0.711 . . . . 72.1 111.113 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.4 Cg_endo -69.81 -14.56 36.1 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.681 2.254 . . . . 73.33 112.283 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.05 -42.44 16.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 54.03 110.886 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.468 HG22 ' O ' ' A' ' 109' ' ' VAL . 0.9 OUTLIER -56.44 -24.58 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 73.22 111.138 179.858 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -52.18 -27.86 24.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.757 . . . . 60.52 112.551 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -37.69 66.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 73.12 110.922 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.508 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 90.9 m-85 -83.04 -26.01 31.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 75.55 110.958 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.54 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 72.21 110.865 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.96 -25.08 57.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 62.13 110.899 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.05 -30.33 59.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 71.52 110.887 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 123' ' ' VAL . 91.6 m -77.33 -24.87 50.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 62.31 111.181 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.459 ' HG2' HD22 ' A' ' 88' ' ' LEU . 16.8 mtmt -81.97 -49.47 10.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.898 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -58.44 -41.04 84.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 65.22 110.885 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -57.54 -31.77 66.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 73.25 110.859 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.797 HG21 HD11 ' A' ' 88' ' ' LEU . 46.9 t -56.34 -24.65 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 63.01 111.117 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -67.21 -19.98 65.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 71.1 110.869 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 43.3 m -63.87 -35.18 79.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.866 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.0 m -66.91 -55.36 14.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 72.42 110.881 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 28.6 pt -65.15 -24.31 35.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.494 . . . . 65.24 111.155 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -74.1 -54.15 8.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 72.42 110.901 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.781 HD12 HG23 ' A' ' 19' ' ' VAL . 17.2 mt -58.72 -48.66 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 72.13 111.109 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.465 HG21 ' HE1' ' A' ' 81' ' ' MET . 31.9 p -61.0 -22.51 64.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 73.32 111.137 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.22 -18.35 47.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 73.12 110.919 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -84.72 -19.91 31.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 72.21 110.899 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.553 HG21 ' CD1' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.58 -25.67 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 72.21 111.16 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.78 -22.88 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 63.12 111.122 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.86 -24.66 33.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.868 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.07 -43.98 7.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 64.53 111.15 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -60.94 -30.58 70.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 74.33 110.89 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -76.09 -52.05 10.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 64.51 110.881 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -52.0 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.92 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 43.22 110.903 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.655 ' HB3' HD13 ' A' ' 12' ' ' ILE . 41.1 m170 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.832 0.349 . . . . 73.03 110.85 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.514 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -168.61 -50.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 74.34 111.077 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.449 ' HA ' ' HE3' ' A' ' 10' ' ' MET . 8.1 mmm -78.11 -43.88 27.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.868 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -90.21 -19.15 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 71.14 111.14 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.655 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.3 OUTLIER -83.3 -28.42 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 64.32 111.097 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -78.49 -20.05 51.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 71.23 110.872 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.24 -33.3 56.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 71.42 110.866 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.3 mm -65.4 -25.4 36.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 41.25 111.135 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 tt -54.71 -44.82 73.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 63.41 110.9 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -66.78 -18.73 65.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.911 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.79 -40.8 46.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 75.2 110.867 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.765 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.13 -27.8 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 65.44 111.098 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.71 ' HA ' HD12 ' A' ' 23' ' ' ILE . 4.1 t80 -80.79 -19.03 45.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.849 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -67.02 -53.38 31.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 44.51 110.875 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -35.15 79.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 54.04 110.923 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 20' ' ' PHE . 38.5 mt -53.89 -33.49 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 70.23 111.145 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.03 -24.7 37.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 70.33 110.871 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.63 -48.17 14.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.889 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -23.35 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 73.23 111.113 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.94 -26.87 47.83 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 64.31 112.484 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.43 -21.72 20.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 74.44 111.182 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -84.15 -31.8 25.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 72.21 110.873 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 t -69.24 -18.16 63.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 70.32 110.849 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.7 t -69.46 -20.46 24.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 73.13 111.134 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -86.2 -59.2 2.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 72.13 110.886 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.542 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -56.3 -21.58 24.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 61.24 111.06 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -79.58 -37.95 22.13 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.764 -0.731 . . . . 63.43 112.522 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.583 ' O ' HD22 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -87.7 -25.16 23.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.339 . . . . 71.35 110.864 -179.899 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 mp -77.85 -40.17 41.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 75.43 110.901 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 37' ' ' ILE . 21.5 mm -75.17 -54.0 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 54.13 111.145 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -50.89 -54.88 20.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 75.24 110.904 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.583 HD22 ' O ' ' A' ' 35' ' ' ARG . 3.1 mp -49.94 -37.27 31.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 74.41 110.941 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -42.23 98.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 75.3 110.865 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.82 ' HG3' ' HB2' ' A' ' 108' ' ' ALA . 23.9 mm-40 -75.87 -41.54 51.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 72.4 110.936 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -177.7 -35.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 51.24 110.885 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.64 2.46 90.53 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 62.11 112.449 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.2 153.69 7.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 74.4 112.511 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.526 ' CA ' HG21 ' A' ' 102' ' ' ILE . . . 171.32 138.55 2.56 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 73.51 112.498 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.24 -87.79 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 71.12 112.441 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.83 -133.82 0.1 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 71.44 112.464 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -97.86 -178.55 33.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.799 -0.715 . . . . 65.21 112.481 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -10.86 29.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.703 2.269 . . . . 52.43 112.322 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.509 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -80.4 -21.94 41.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 74.12 110.923 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.94 -30.83 26.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 73.02 110.925 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -65.51 -46.22 80.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 65.3 110.877 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.711 HG22 ' CD1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -77.75 -26.09 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 63.51 111.145 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.7 t -79.5 -31.18 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 73.32 111.14 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.405 ' N ' HD22 ' A' ' 55' ' ' ASN . 1.7 m-80 -89.11 -24.79 22.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 73.23 110.892 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.1 t -85.71 -44.97 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 73.25 111.115 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.711 ' CD1' HG22 ' A' ' 53' ' ' VAL . 69.5 mt -75.16 -22.8 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 72.22 111.156 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.492 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.8 mt-10 -51.48 -60.49 5.76 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.604 0.716 . . . . 75.01 110.857 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.494 ' HB2' HD22 ' A' ' 91' ' ' LEU . 54.0 Cg_endo -69.77 -32.63 18.17 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.683 2.255 . . . . 73.42 112.308 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 63.2 m -64.28 -30.04 71.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 75.42 110.902 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -58.56 7.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 71.14 110.873 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -25.8 40.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 73.45 110.886 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.18 -24.86 29.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 64.22 110.897 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.02 -38.6 62.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 71.34 110.838 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -56.78 -26.78 58.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 62.24 110.875 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.546 HD12 ' HB2' ' A' ' 84' ' ' SER . 9.0 mt -67.13 -34.91 78.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 73.53 110.914 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.5 m -62.65 -19.24 63.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 73.03 111.175 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.44 -14.45 32.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.7 -0.762 . . . . 30.33 112.461 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.795 HD23 ' HD2' ' A' ' 80' ' ' LYS . 10.0 tp -91.06 -8.87 47.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.853 0.359 . . . . 62.25 110.913 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.598 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.08 -31.67 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 60.33 111.103 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -98.44 1.1 46.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 61.23 110.88 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -123.12 -58.19 1.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 71.03 110.91 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.9 tp -113.93 73.04 2.26 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.604 0.716 . . . . 62.42 110.896 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 129.12 17.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 24.01 112.376 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.7 m -103.06 -14.52 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 72.44 111.145 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -177.97 -171.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 74.51 110.877 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -16.78 60.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 73.23 110.839 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.02 39.18 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.754 -0.736 . . . . 61.41 112.497 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -66.65 -64.94 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.935 0.398 . . . . 75.44 110.852 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.795 ' HD2' HD23 ' A' ' 69' ' ' LEU . 4.0 mmtm -64.58 -21.1 66.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 70.43 110.887 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.598 ' HG2' HG21 ' A' ' 70' ' ' VAL . 17.0 mtt -78.96 -60.34 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 73.12 110.87 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.2 t -56.77 -27.66 59.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 64.42 111.148 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -75.71 -20.67 58.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 74.24 110.903 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.546 ' HB2' HD12 ' A' ' 66' ' ' LEU . 1.8 p -83.76 -26.28 29.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 72.31 110.876 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.467 ' HA ' HD12 ' A' ' 88' ' ' LEU . 4.6 tttm -64.72 -44.62 89.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 70.52 110.899 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -17.92 59.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 63.14 110.875 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.6 t -77.73 -23.01 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 53.01 111.158 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.681 HD11 HG21 ' A' ' 123' ' ' VAL . 6.2 mt -85.21 -34.02 22.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 70.5 110.873 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.427 ' O ' HG22 ' A' ' 92' ' ' THR . 0.9 OUTLIER -78.14 -34.31 49.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 73.32 110.912 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 70.1 m -82.52 -20.0 37.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 65.32 110.858 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.494 HD22 ' HB2' ' A' ' 59' ' ' PRO . 3.8 tp -74.78 -47.85 28.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 65.04 110.881 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.4 t -53.29 -27.65 24.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 55.35 111.12 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.21 -35.11 59.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 60.22 110.95 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.6 -23.0 32.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 74.32 110.905 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.5 tp -81.95 -26.16 34.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 74.52 110.945 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.489 ' O ' HG23 ' A' ' 99' ' ' VAL . 11.6 mttt -67.35 -31.8 72.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 62.44 110.861 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -12.66 61.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 70.33 110.873 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.97 -24.58 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 75.22 111.121 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 96' ' ' LYS . 26.9 t -57.56 -21.14 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 74.11 111.11 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -87.35 -18.82 29.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 71.51 110.866 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.785 ' HB3' HD12 ' A' ' 102' ' ' ILE . 0.5 OUTLIER -88.47 -69.33 0.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.912 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.785 HD12 ' HB3' ' A' ' 101' ' ' LEU . 3.8 mp -138.39 74.07 41.79 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.732 . . . . 71.41 111.121 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 88.09 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.675 2.25 . . . . 62.01 112.337 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.6 p -52.85 -73.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 64.14 110.805 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 67.9 p -142.85 154.92 44.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 72.33 111.125 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.0 m -88.22 -13.33 41.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 63.23 110.886 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 70.7 m -75.94 -33.34 59.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 61.41 110.864 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.82 ' HB2' ' HG3' ' A' ' 41' ' ' GLN . . . -81.14 -17.95 48.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 55.31 111.098 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.527 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -52.52 -57.62 14.97 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.721 . . . . 71.43 111.104 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.2 Cg_endo -69.73 -13.51 34.86 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.661 2.241 . . . . 51.3 112.359 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.32 -43.33 16.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 74.53 110.921 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.443 HG22 ' O ' ' A' ' 109' ' ' VAL . 0.4 OUTLIER -57.25 -24.52 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 62.44 111.129 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -59.37 -20.86 52.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 72.2 112.488 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -83.57 -47.02 11.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 74.14 110.927 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.542 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 33.5 m-85 -69.26 -42.15 75.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 71.23 110.909 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 15.1 mtm -58.8 -49.58 77.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 62.23 110.854 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.96 -25.8 67.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 62.12 110.894 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -52.04 -47.03 65.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 72.52 110.869 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 123' ' ' VAL . 48.5 m -70.56 -26.63 63.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 71.54 111.178 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.426 ' HG2' HD13 ' A' ' 88' ' ' LEU . 5.0 mtmt -74.01 -36.78 64.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 75.43 110.911 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.97 -32.61 65.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 72.51 110.861 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -66.23 -27.8 68.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 75.05 110.886 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.681 HG21 HD11 ' A' ' 88' ' ' LEU . 44.1 t -58.93 -26.61 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 75.24 111.108 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.36 -20.6 65.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 72.44 110.905 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.1 t -57.4 -24.29 54.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 45.52 110.926 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 67.7 m -60.41 -49.21 78.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 62.43 110.849 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 38.6 pt -78.73 -27.23 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 71.25 111.156 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -71.09 -40.88 71.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 72.11 110.921 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.765 HD12 HG23 ' A' ' 19' ' ' VAL . 26.8 mt -72.45 -51.4 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.05 111.106 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.523 ' O ' HG12 ' A' ' 133' ' ' VAL . 72.8 p -60.13 -22.59 63.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 70.4 111.126 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -60.02 -18.61 47.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 75.22 110.9 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -29.04 27.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.881 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 130' ' ' THR . 0.5 OUTLIER -60.54 -19.69 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 73.22 111.131 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.7 pp -62.51 -23.13 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 74.21 111.128 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -52.38 -31.28 33.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 64.12 110.921 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.67 -36.33 14.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 72.41 111.159 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.65 -15.21 62.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 72.04 110.873 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -92.08 -44.46 8.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 65.21 110.829 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.94 -74.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 75.14 110.86 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 72.34 110.846 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.778 0.323 . . . . 75.54 110.884 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.751 ' HB1' ' HB2' ' A' ' 5' ' ' HIS . . . -71.85 142.78 49.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 73.1 111.127 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -106.02 -73.69 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 71.53 110.878 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -77.92 -31.24 51.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 70.04 110.841 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.751 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 17.6 m80 -54.18 104.63 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 75.52 110.844 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -103.03 -26.72 12.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 70.13 110.867 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -68.97 155.07 40.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 73.05 110.825 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.604 ' HB3' HD13 ' A' ' 12' ' ' ILE . 30.2 m-70 -141.83 109.53 5.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 73.32 110.842 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.519 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -168.15 -47.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 45.33 111.088 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 21.1 mmt -80.13 -44.49 19.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 74.13 110.916 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.8 t -90.28 -18.95 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 63.2 111.124 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.604 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.43 -28.5 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 63.04 111.138 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -78.43 -18.03 55.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 73.12 110.846 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.98 -34.52 38.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 70.35 110.839 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.6 mt -55.94 -25.33 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 61.14 111.138 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.469 HD13 ' CD1' ' A' ' 71' ' ' PHE . 15.5 tp -56.18 -36.26 68.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 74.3 110.969 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -61.39 -18.79 60.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 71.41 110.872 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.0 t -76.96 -39.22 51.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 54.45 110.846 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.633 HG23 ' CD1' ' A' ' 129' ' ' ILE . 0.5 OUTLIER -88.19 -28.19 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 71.42 111.094 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.518 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.86 -19.02 45.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 72.23 110.893 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -69.21 -54.93 12.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 74.21 110.867 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -34.43 78.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 51.22 110.944 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' A' ' 20' ' ' PHE . 23.9 mt -52.92 -32.82 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 74.24 111.134 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.5 m -80.76 -28.64 36.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 74.02 110.866 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' O ' HG22 ' A' ' 28' ' ' THR . 3.8 tttm -76.08 -58.98 2.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.915 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.0 tt -59.36 -26.56 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 62.23 111.128 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.504 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -60.23 -38.88 95.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 32.34 112.466 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 25' ' ' LYS . 8.8 t -91.4 -23.65 19.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 74.04 111.152 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.02 -32.13 66.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 62.22 110.895 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 t -74.07 -34.25 63.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 63.33 110.866 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 27' ' ' GLY . 29.7 t -62.09 -20.46 24.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 75.54 111.17 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -86.14 -59.21 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 71.32 110.87 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.42 ' HB1' ' CE1' ' A' ' 115' ' ' TYR . . . -56.98 -21.84 33.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 73.13 111.108 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.25 -38.74 24.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 41.12 112.495 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.44 -23.91 23.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 73.12 110.873 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -76.75 -39.5 51.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 54.31 110.932 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mp -73.69 -40.64 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 75.2 111.095 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -65.09 -58.96 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 71.12 110.918 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 mp -50.72 -36.07 34.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 74.02 110.936 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.2 m -58.22 -38.16 76.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 73.03 110.869 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.543 ' CD ' ' HB2' ' A' ' 108' ' ' ALA . 1.8 mt-30 -83.23 -39.6 20.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 70.21 110.901 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -179.61 -34.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 33.2 110.883 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.87 9.74 75.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 44.01 112.473 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.17 151.49 7.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.807 -0.711 . . . . 60.44 112.505 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 156.99 147.17 4.69 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 74.53 112.473 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.781 ' HA3' HG21 ' A' ' 102' ' ' ILE . . . -76.97 -78.58 0.73 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.795 -0.717 . . . . 64.04 112.476 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.28 172.22 0.35 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 64.11 112.486 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -90.24 -178.82 44.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.693 -0.765 . . . . 63.52 112.504 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -10.69 29.19 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.67 2.247 . . . . 64.42 112.381 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.516 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -81.02 -22.05 39.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 75.21 110.879 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -75.86 -31.69 59.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 73.43 110.933 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.416 ' HE2' HG22 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -63.07 -35.62 80.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 72.45 110.874 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.714 HG22 ' CD1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -87.5 -26.16 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 74.12 111.118 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 50' ' ' LEU . 24.5 t -78.96 -30.24 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 74.24 111.128 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.23 -24.76 22.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 72.1 110.91 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 t -86.54 -44.39 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 63.1 111.114 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.714 ' CD1' HG22 ' A' ' 53' ' ' VAL . 69.6 mt -75.08 -23.26 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 73.2 111.099 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.493 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -51.79 -60.52 5.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.605 0.717 . . . . 74.31 110.907 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.569 ' CG ' HD22 ' A' ' 91' ' ' LEU . 53.8 Cg_endo -69.74 -32.76 18.04 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.727 2.285 . . . . 63.41 112.297 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 57.8 m -64.13 -29.98 71.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 74.24 110.892 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.82 -59.26 5.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 53.43 110.912 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -55.69 -25.7 41.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 74.43 110.862 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.497 ' HD1' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -83.66 -24.87 31.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 75.21 110.867 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.95 -35.14 63.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 71.24 110.899 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.31 -23.26 67.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 74.4 110.866 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.497 HD12 ' HD1' ' A' ' 63' ' ' PHE . 15.9 mt -66.42 -34.88 78.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 72.24 110.936 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.2 p -62.79 -16.86 59.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 65.35 111.132 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.63 -14.61 29.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 50.13 112.468 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.757 HD23 ' HD2' ' A' ' 80' ' ' LYS . 9.7 tp -91.07 -11.1 39.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.894 0.378 . . . . 70.12 110.935 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.722 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.08 -31.82 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 73.31 111.104 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.469 ' CD1' HD13 ' A' ' 16' ' ' LEU . 38.7 m-85 -96.52 0.98 50.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 74.41 110.911 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -124.23 -56.08 1.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 71.21 110.951 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.412 HD12 HD11 ' A' ' 69' ' ' LEU . 87.0 mt -114.03 72.67 2.26 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.575 0.702 . . . . 62.32 110.909 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 129.25 17.24 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.68 2.253 . . . . 64.31 112.321 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.8 m -111.4 -15.82 13.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 74.35 111.138 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -177.81 -172.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.14 110.875 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -62.96 -16.73 60.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.872 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.93 39.36 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 73.35 112.458 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.531 ' O ' HG22 ' A' ' 82' ' ' THR . 5.4 mm-40 -61.84 -53.48 55.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.89 0.376 . . . . 74.04 110.861 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.757 ' HD2' HD23 ' A' ' 69' ' ' LEU . 7.2 mmtp -80.97 -20.05 42.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 75.12 110.94 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.722 ' HG2' HG21 ' A' ' 70' ' ' VAL . 14.8 mtt -76.8 -40.19 48.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 75.51 110.872 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 79' ' ' GLU . 2.1 t -57.21 -25.92 59.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 62.25 111.133 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.733 ' O ' HG23 ' A' ' 87' ' ' VAL . 1.3 mt-10 -80.11 -20.03 45.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 64.52 110.896 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.8 m -73.48 -26.24 60.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 63.4 110.872 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -82.16 -20.97 36.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 74.54 110.921 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 43.3 t -87.02 -17.99 31.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 72.41 110.823 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 83' ' ' GLU . 77.9 t -80.69 -29.98 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 52.43 111.101 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.626 ' CD1' HG21 ' A' ' 123' ' ' VAL . 20.4 mt -86.03 -32.93 21.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 73.31 110.937 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.476 ' O ' HG22 ' A' ' 92' ' ' THR . 0.3 OUTLIER -78.36 -35.12 47.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.906 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.7 p -80.91 -20.07 42.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 65.21 110.845 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.569 HD22 ' CG ' ' A' ' 59' ' ' PRO . 2.1 tp -73.34 -47.73 40.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 65.52 110.934 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.476 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.3 t -53.63 -27.52 27.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 63.25 111.142 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -52.02 -39.13 59.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 75.23 110.904 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.6 -22.92 32.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 71.55 110.927 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.43 -23.01 43.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 73.14 110.909 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.466 ' O ' HG22 ' A' ' 99' ' ' VAL . 13.1 mmtt -72.75 -33.83 66.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 64.31 110.914 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -12.44 61.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 64.43 110.902 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.93 -24.44 4.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 72.31 111.15 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 96' ' ' LYS . 6.8 m -58.19 -20.14 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 73.04 111.11 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -88.34 -16.26 33.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 64.23 110.878 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.7 -65.98 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.876 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.781 HG21 ' HA3' ' A' ' 46' ' ' GLY . 1.0 OUTLIER -144.71 74.23 15.01 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.683 0.754 . . . . 73.52 111.152 179.866 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 144.55 54.32 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.663 2.242 . . . . 72.33 112.307 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.76 136.72 3.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 52.21 110.843 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.521 HG21 ' HB2' ' A' ' 41' ' ' GLN . 0.2 OUTLIER 59.52 98.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 75.53 111.135 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.9 t -81.01 -11.61 59.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.32 110.85 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.7 m -84.74 -31.62 23.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 63.33 110.841 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.543 ' HB2' ' CD ' ' A' ' 41' ' ' GLN . . . -80.18 -16.96 53.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 45.23 111.076 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.54 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -56.83 -57.53 23.5 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.719 . . . . 64.12 111.154 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.8 Cg_endo -69.77 -18.97 36.64 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.666 2.244 . . . . 65.42 112.319 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.66 -54.51 7.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 62.44 110.908 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 37.8 pt -57.03 -24.23 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 75.32 111.132 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -52.93 -32.18 41.05 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 73.04 112.486 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -78.36 -28.49 47.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 75.44 110.943 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.42 ' CE1' ' HB1' ' A' ' 33' ' ' ALA . 10.3 m-85 -80.92 -33.34 34.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 64.22 110.946 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 7.6 mtm -65.59 -55.25 18.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 73.4 110.837 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -27.26 69.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 75.15 110.878 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -52.03 -54.41 30.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 74.11 110.918 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.471 ' O ' HG23 ' A' ' 123' ' ' VAL . 2.1 m -61.91 -31.37 71.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 63.15 111.101 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.07 -35.04 69.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 73.02 110.88 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -69.83 -43.44 71.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 73.21 110.865 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -55.32 -30.85 61.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.931 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.626 HG21 ' CD1' ' A' ' 88' ' ' LEU . 39.6 t -56.44 -24.62 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.504 . . . . 72.53 111.131 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.416 ' O ' HD12 ' A' ' 127' ' ' ILE . 23.9 tt0 -60.87 -20.19 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 71.45 110.911 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 28.0 p -52.25 -30.0 25.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.854 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.5 t -54.28 -40.59 67.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 75.41 110.848 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.43 ' H ' HD12 ' A' ' 127' ' ' ILE . 1.9 mp -83.91 -40.56 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 65.22 111.089 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -31.76 62.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 74.33 110.867 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.633 ' CD1' HG23 ' A' ' 19' ' ' VAL . 6.9 mt -78.28 -50.54 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 74.44 111.143 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 58.6 p -59.75 -22.53 62.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 75.2 111.119 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.18 -18.42 47.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 70.23 110.857 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -84.66 -19.89 32.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 71.43 110.862 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.51 -25.58 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 72.04 111.099 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -78.17 -22.81 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 74.24 111.107 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.52 -22.91 32.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 54.52 110.913 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.17 -34.34 11.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 74.13 111.083 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -69.71 -45.73 67.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 71.04 110.879 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.55 -17.92 61.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 74.32 110.841 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.21 -33.83 14.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 74.15 110.867 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 11.4 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 71.33 110.9 -179.839 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mtm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.821 0.344 . . . . 71.02 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.22 -54.56 4.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 63.02 111.122 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.1 t60 62.18 165.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 72.35 110.883 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -102.06 99.93 10.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.853 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -155.74 -174.56 5.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 63.41 110.858 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -142.58 -43.27 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 55.3 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -103.44 -177.4 3.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 70.23 110.864 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -124.71 106.19 9.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 65.55 110.899 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.51 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -172.51 -47.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 65.14 111.086 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -44.64 19.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 73.23 110.879 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.6 m -90.21 -19.02 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 61.53 111.137 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.51 HG22 ' CA ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -83.42 -28.52 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 71.22 111.119 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.88 -21.15 61.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 72.21 110.845 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -76.96 -47.78 19.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 74.21 110.855 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.1 mt -56.07 -24.99 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 74.34 111.145 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.777 HD12 ' HB2' ' A' ' 71' ' ' PHE . 4.5 tt -54.04 -45.12 71.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 61.24 110.914 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -18.81 65.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 74.52 110.902 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.71 -40.41 48.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 72.24 110.873 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.05 -27.76 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 73.21 111.135 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.612 ' HA ' HD12 ' A' ' 23' ' ' ILE . 2.5 t80 -80.9 -18.93 45.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 70.04 110.851 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.3 -51.91 39.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 55.33 110.861 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -32.7 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.862 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 20' ' ' PHE . 41.7 mt -55.22 -33.67 31.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 75.11 111.094 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -80.94 -60.93 2.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 71.12 110.936 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -51.95 -59.02 4.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 72.14 110.896 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.51 -24.46 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 75.12 111.111 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.615 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -53.41 -30.01 40.0 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.732 . . . . 70.44 112.478 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.4 p -92.04 -20.96 20.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 73.2 111.145 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -69.26 -34.11 74.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 71.3 110.858 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.9 m -80.18 -22.09 42.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 63.42 110.884 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 27' ' ' GLY . 58.3 t -72.86 -20.5 19.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 42.25 111.089 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -86.78 -54.87 4.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 53.52 110.892 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.647 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -56.21 -21.88 25.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 52.31 111.093 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.78 -40.39 26.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 63.41 112.483 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -88.45 -19.98 25.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.91 0.386 . . . . 71.05 110.865 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -80.81 -38.72 27.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 73.13 110.961 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mp -72.87 -44.7 57.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 70.52 111.145 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.64 -58.9 6.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 61.42 110.87 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.1 mp -51.17 -36.35 40.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 75.21 110.978 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 m -58.38 -38.18 76.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 64.52 110.877 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.434 ' OE1' ' HB2' ' A' ' 108' ' ' ALA . 1.8 mt-30 -84.1 -39.25 19.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 72.31 110.896 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -179.43 -34.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 63.53 110.897 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.68 4.27 89.29 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 74.32 112.481 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.88 121.42 19.23 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 70.22 112.512 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.71 172.82 40.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 54.11 112.508 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.782 ' HA3' HD13 ' A' ' 102' ' ' ILE . . . -78.47 145.14 28.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 61.52 112.477 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.16 -142.32 23.38 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.808 -0.71 . . . . 73.15 112.49 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.81 -178.77 22.9 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 62.12 112.488 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -10.77 29.37 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.259 . . . . 53.5 112.348 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.518 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -80.73 -22.2 40.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 74.2 110.926 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -67.48 -31.21 71.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 62.42 110.9 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -60.34 -53.03 62.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 73.12 110.914 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.8 m -67.12 -31.69 54.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 65.41 111.131 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.3 t -70.92 -42.78 77.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 72.3 111.13 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.11 -24.51 40.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 73.02 110.888 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.0 t -84.02 -45.98 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 65.44 111.09 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 84.5 mt -75.77 -21.95 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 71.34 111.125 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.498 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 3.0 mt-10 -50.6 -60.28 5.72 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.631 0.729 . . . . 72.35 110.918 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.566 ' CG ' HD22 ' A' ' 91' ' ' LEU . 53.6 Cg_endo -69.74 -31.21 21.04 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.722 2.281 . . . . 73.12 112.309 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 68.1 m -64.54 -32.07 73.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 55.22 110.899 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -56.08 -59.83 4.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 65.25 110.881 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -25.51 41.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 54.14 110.926 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.511 ' HD1' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -83.12 -24.83 32.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 72.22 110.875 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 61.5 m -53.72 -32.91 53.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 63.23 110.859 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -58.2 -24.04 57.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 65.42 110.892 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.511 HD12 ' HD1' ' A' ' 63' ' ' PHE . 21.8 mt -68.27 -33.75 74.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 64.21 110.877 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.7 p -69.16 -11.3 60.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.33 111.127 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -105.27 -16.58 15.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.802 -0.713 . . . . 75.13 112.467 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.07 -9.97 43.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.826 0.346 . . . . 73.54 110.911 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t -95.01 -44.13 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 74.55 111.119 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.777 ' HB2' HD12 ' A' ' 16' ' ' LEU . 74.5 m-85 -83.07 1.01 42.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 75.33 110.888 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -120.23 -67.62 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 72.14 110.925 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tt -124.55 74.31 62.22 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.63 0.729 . . . . 60.24 110.904 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 129.3 17.34 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.704 2.269 . . . . 43.43 112.337 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.6 m -93.01 -16.51 24.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 73.25 111.104 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -177.65 -172.91 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 75.21 110.828 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -16.84 61.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.855 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.49 39.08 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.763 -0.732 . . . . 74.54 112.541 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.549 ' O ' HG22 ' A' ' 82' ' ' THR . 2.0 mm-40 -60.65 -55.2 36.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.899 0.381 . . . . 50.34 110.914 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.485 ' O ' HD13 ' A' ' 66' ' ' LEU . 4.2 mmtt -81.0 -19.99 42.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 71.34 110.874 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.7 mtt -75.78 -39.0 57.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 53.4 110.848 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 79' ' ' GLU . 2.3 t -59.19 -20.98 58.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 71.25 111.15 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.617 ' O ' HG23 ' A' ' 87' ' ' VAL . 24.2 mt-10 -78.52 -22.45 47.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 64.35 110.852 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.1 t -73.99 -27.25 60.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 65.15 110.826 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -62.66 -31.64 72.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 63.53 110.914 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.99 -18.0 31.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 62.01 110.884 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 83' ' ' GLU . 90.0 t -76.67 -31.97 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 71.05 111.152 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 18.4 mt -86.01 -33.58 21.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 75.02 110.938 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.453 ' O ' HG22 ' A' ' 92' ' ' THR . 9.5 mmmt -76.06 -36.67 58.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 71.21 110.898 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.6 t -80.92 -20.01 43.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 75.14 110.862 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.566 HD22 ' CG ' ' A' ' 59' ' ' PRO . 2.2 tp -75.44 -48.41 22.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 74.5 110.934 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.453 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.6 t -53.69 -27.55 28.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 54.44 111.124 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -53.24 -35.06 59.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 75.02 110.868 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -83.56 -22.98 32.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 62.14 110.91 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.7 tp -83.08 -22.91 33.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 71.45 110.916 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.432 ' O ' HG23 ' A' ' 99' ' ' VAL . 3.2 mmtm -79.49 -35.3 40.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 72.13 110.905 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -12.24 61.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 74.43 110.907 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.67 -24.58 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 73.33 111.13 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 96' ' ' LYS . 24.0 t -57.81 -20.53 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 73.34 111.157 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -87.23 -16.76 34.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 71.21 110.897 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.803 ' HB3' HD12 ' A' ' 102' ' ' ILE . 0.8 OUTLIER -94.06 -68.53 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 52.23 110.92 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.803 HD12 ' HB3' ' A' ' 101' ' ' LEU . 4.2 mp -135.81 74.25 58.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.684 0.754 . . . . 72.35 111.165 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 164.18 35.46 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.718 2.279 . . . . 73.02 112.369 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.8 t -142.9 -74.52 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 34.2 110.81 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.02 151.85 51.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 53.02 111.175 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.0 t -93.9 -8.07 41.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 65.44 110.888 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.17 -31.29 49.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 63.31 110.861 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.434 ' HB2' ' OE1' ' A' ' 41' ' ' GLN . . . -79.81 -16.98 54.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 32.02 111.133 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.537 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -54.63 -57.6 18.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.612 0.72 . . . . 61.0 111.137 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.4 Cg_endo -69.82 -31.36 20.41 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.63 2.22 . . . . 54.03 112.327 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.07 -60.46 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 73.25 110.93 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 11.5 tt -55.55 -25.64 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 64.55 111.113 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.77 -22.06 65.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 62.33 112.465 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.97 -33.39 26.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 71.11 110.895 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.647 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -73.62 -27.86 61.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 74.21 110.9 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 47.3 mtm -62.49 -53.2 58.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 72.14 110.857 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.1 -25.35 45.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.941 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -52.05 -30.09 24.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 53.13 110.877 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 3.7 m -85.77 -30.15 23.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 73.44 111.185 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -47.54 78.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 71.52 110.869 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -71.76 -16.99 62.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 64.11 110.898 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -67.43 -26.34 66.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 71.55 110.914 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -85.16 -22.74 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 60.13 111.149 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.611 ' O ' HD12 ' A' ' 127' ' ' ILE . 5.3 tp10 -53.8 -27.82 31.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.22 110.898 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -20.03 58.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 61.54 110.869 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 50.7 m -61.4 -35.18 76.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 75.23 110.86 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 124' ' ' GLU . 1.8 mp -81.5 -51.27 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 73.35 111.127 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -30.08 23.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 71.22 110.927 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 23.0 mt -77.26 -43.1 31.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 72.41 111.138 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.539 ' O ' HG12 ' A' ' 133' ' ' VAL . 0.6 OUTLIER -71.41 -22.54 61.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 70.11 111.151 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.02 -18.67 47.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 61.55 110.889 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -83.67 -31.88 25.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 71.14 110.919 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 130' ' ' THR . 0.5 OUTLIER -60.54 -19.52 19.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 51.23 111.115 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.7 pp -58.97 -23.22 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 74.1 111.166 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.66 -32.78 67.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 75.52 110.933 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.75 -43.69 12.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 74.32 111.159 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.86 -29.91 69.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 74.53 110.855 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -76.58 -41.28 46.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 62.43 110.825 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -52.46 -73.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 72.03 110.855 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 63.21 110.87 -179.779 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mtt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.806 0.336 . . . . 72.03 110.925 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.37 17.22 18.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 73.32 111.109 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.66 159.5 21.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 64.2 110.839 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -145.73 178.28 8.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 73.23 110.874 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -159.42 153.24 23.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 74.43 110.862 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -175.78 -170.92 0.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 63.11 110.821 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -84.82 164.16 18.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 70.54 110.874 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.534 ' CB ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -167.33 115.83 0.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 73.44 110.837 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.499 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -169.98 -47.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 63.22 111.127 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 25.4 mmt -80.09 -44.59 19.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 71.03 110.926 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.3 m -90.29 -18.92 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 73.23 111.099 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.654 ' CD1' HG21 ' A' ' 133' ' ' VAL . 0.3 OUTLIER -83.45 -28.44 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.21 111.127 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -37.55 83.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.855 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -68.9 -24.57 64.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 62.54 110.845 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.9 mt -70.59 -25.0 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 64.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.463 HD12 ' O ' ' A' ' 16' ' ' LEU . 10.5 tp -55.67 -36.98 67.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 53.21 110.923 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -65.05 -18.91 65.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 72.35 110.929 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.3 m -77.35 -39.62 46.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 64.23 110.86 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.071 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.04 -27.89 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 64.32 111.103 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.801 ' HA ' HD12 ' A' ' 23' ' ' ILE . 1.9 t80 -80.94 -19.0 45.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 73.54 110.866 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -69.83 -49.28 54.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 72.51 110.855 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -51.47 -45.2 62.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 71.4 110.887 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.801 HD12 ' HA ' ' A' ' 20' ' ' PHE . 14.4 mt -52.73 -37.52 25.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 74.15 111.153 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 66.4 m -81.05 -22.16 39.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 73.3 110.888 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' O ' HG22 ' A' ' 28' ' ' THR . 0.0 OUTLIER -80.13 -59.03 2.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 65.31 110.899 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.442 HG21 ' CE2' ' A' ' 122' ' ' PHE . 1.1 pt -56.35 -24.65 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 61.12 111.167 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.515 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -71.2 -16.04 74.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.715 -0.755 . . . . 55.33 112.486 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -84.31 -25.13 29.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 73.51 111.165 -179.864 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -83.59 -40.67 18.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 61.22 110.881 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -18.02 59.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 74.03 110.89 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 27' ' ' GLY . 58.3 t -59.64 -20.51 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 71.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.74 -56.54 3.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 75.2 110.886 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.601 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -56.04 -23.42 33.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 72.41 111.086 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.72 -40.81 44.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 34.03 112.456 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.492 ' O ' HD13 ' A' ' 39' ' ' LEU . 26.0 mmm-85 -88.77 -21.77 23.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 72.44 110.865 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 mp -78.81 -36.18 43.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 73.24 110.927 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.7 HG13 HD13 ' A' ' 111' ' ' LEU . 1.0 OUTLIER -73.16 -40.13 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 74.14 111.138 179.805 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.88 -45.8 63.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 75.54 110.894 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 35' ' ' ARG . 1.5 mp -51.85 -30.97 25.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 73.42 110.916 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.46 -35.26 54.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 61.1 110.852 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.634 ' NE2' ' HB2' ' A' ' 108' ' ' ALA . 47.8 mm-40 -51.02 103.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 73.13 110.895 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.92 14.17 3.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 72.2 110.873 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.7 -31.94 14.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 62.51 112.498 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -134.42 -105.75 0.88 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 61.12 112.52 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 144.93 116.8 1.08 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.676 -0.773 . . . . 73.04 112.479 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -136.02 -139.43 3.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.729 . . . . 72.03 112.522 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.64 -170.89 0.44 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.733 -0.746 . . . . 35.2 112.49 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.77 -164.98 27.06 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 64.31 112.468 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -9.99 27.5 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 72.02 112.386 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 mt -73.37 -26.1 60.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 75.44 110.948 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -32.74 70.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 74.1 110.92 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.81 -46.6 81.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 63.42 110.905 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 52.4 t -76.97 -28.13 16.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 73.23 111.114 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 t -77.3 -31.36 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 60.51 111.13 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.409 HD22 ' N ' ' A' ' 55' ' ' ASN . 1.6 m-80 -89.04 -24.86 22.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 75.11 110.909 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.1 t -85.72 -44.81 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 65.24 111.132 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.8 mm -75.4 -22.57 16.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 63.41 111.105 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.494 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.6 -60.51 5.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.667 0.746 . . . . 72.33 110.916 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.635 ' HB3' HD21 ' A' ' 91' ' ' LEU . 54.2 Cg_endo -69.77 -26.66 27.29 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.659 2.239 . . . . 43.24 112.341 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.53 -41.22 76.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 75.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.36 -57.92 8.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 72.43 110.928 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -55.78 -25.51 41.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 73.52 110.9 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.553 ' CD2' HD12 ' A' ' 66' ' ' LEU . 7.2 t80 -83.89 -24.88 30.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 75.21 110.928 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -41.2 76.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 74.24 110.865 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.61 -27.96 68.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.102 -0.499 . . . . 63.35 110.86 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.719 HD13 ' OG ' ' A' ' 84' ' ' SER . 39.0 mt -67.85 -38.69 83.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 73.53 110.947 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.5 p -62.99 -16.25 59.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 72.11 111.133 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.02 -13.5 36.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.765 -0.731 . . . . 54.32 112.512 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.775 HD23 ' HD2' ' A' ' 80' ' ' LYS . 8.8 tp -91.02 -11.91 37.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 62.42 110.931 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.721 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.8 t -95.07 -31.85 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 73.34 111.114 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -96.33 1.07 51.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 71.33 110.892 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -126.85 -47.92 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 71.22 110.872 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.6 tp -117.77 68.26 6.11 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.664 0.745 . . . . 72.23 110.899 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 129.33 17.44 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.653 2.235 . . . . 64.44 112.391 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.8 m -108.9 -14.47 14.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 73.14 111.152 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -178.07 -170.81 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 51.31 110.855 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 59.6 p -63.27 -16.5 60.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 65.0 110.832 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.35 38.59 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 74.32 112.466 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.33 -70.07 0.26 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.895 0.379 . . . . 74.05 110.895 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.775 ' HD2' HD23 ' A' ' 69' ' ' LEU . 9.9 mmtt -56.46 -28.56 59.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 75.14 110.938 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.721 ' HG2' HG21 ' A' ' 70' ' ' VAL . 13.0 mtt -72.09 -61.03 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 62.0 110.91 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 t -61.86 -26.88 68.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 71.34 111.128 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -78.08 -20.31 52.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 53.1 110.873 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.719 ' OG ' HD13 ' A' ' 66' ' ' LEU . 34.5 m -84.27 -27.62 27.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 73.53 110.856 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.514 ' HA ' HD12 ' A' ' 88' ' ' LEU . 2.2 tttt -65.1 -20.01 66.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 52.01 110.879 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.86 -17.93 49.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 73.14 110.851 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.8 t -79.2 -34.39 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 74.04 111.115 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.611 HD11 HG21 ' A' ' 123' ' ' VAL . 4.0 mt -69.42 -18.97 63.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 63.12 110.956 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -84.05 -38.2 21.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 73.03 110.871 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.21 -19.94 27.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 55.42 110.867 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.635 HD21 ' HB3' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -77.58 -43.73 30.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 74.34 110.891 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.9 t -54.15 -26.98 30.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 74.12 111.135 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -55.54 -26.05 41.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 74.41 110.894 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.76 -25.87 32.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 73.14 110.934 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.551 HD13 ' SD ' ' A' ' 116' ' ' MET . 0.2 OUTLIER -83.08 -27.71 30.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 74.3 110.896 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -65.72 -31.07 71.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 75.13 110.891 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -12.61 61.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 70.41 110.88 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.97 -24.23 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 73.42 111.136 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.503 HG22 ' HB3' ' A' ' 103' ' ' PRO . 0.5 OUTLIER -58.12 -20.29 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 72.34 111.079 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -86.9 -16.45 35.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 73.02 110.891 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.769 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -92.58 -66.92 0.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 64.41 110.94 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.769 HD12 ' HB3' ' A' ' 101' ' ' LEU . 4.0 mp -138.73 74.18 39.28 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.712 . . . . 64.13 111.088 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.503 ' HB3' HG22 ' A' ' 99' ' ' VAL . 53.2 Cg_endo -69.77 88.86 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.653 2.236 . . . . 72.55 112.298 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 63.9 p -58.78 -176.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 61.24 110.859 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.9 p -62.42 -171.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 72.31 111.168 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 52.0 m -88.59 7.17 34.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 71.4 110.877 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.624 ' O ' HD12 ' A' ' 111' ' ' LEU . 5.7 m -96.94 -40.68 8.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 71.53 110.862 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.634 ' HB2' ' NE2' ' A' ' 41' ' ' GLN . . . -79.86 -24.42 41.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 61.31 111.101 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.541 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -59.27 -57.53 26.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 71.42 111.117 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.2 Cg_endo -69.79 -19.34 36.13 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.663 2.242 . . . . 74.23 112.312 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.7 HD13 HG13 ' A' ' 37' ' ' ILE . 2.3 mt -78.04 -58.53 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 74.43 110.953 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 7.4 tt -58.73 -24.47 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 75.53 111.082 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.75 -28.88 70.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 42.31 112.427 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -71.13 -44.28 65.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.806 0.336 . . . . 63.41 110.946 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.601 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 24.7 m-85 -76.26 -18.99 58.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 74.25 110.924 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.551 ' SD ' HD13 ' A' ' 95' ' ' LEU . 2.5 mtp -69.76 -43.04 73.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 73.51 110.91 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.0 -25.05 37.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.909 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -52.05 -44.87 64.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 75.42 110.887 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.479 ' O ' HG23 ' A' ' 123' ' ' VAL . 4.6 m -68.84 -24.93 64.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 73.35 111.1 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -81.1 -36.67 30.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 73.43 110.891 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.15 -42.68 68.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 74.5 110.856 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.442 ' CE2' HG21 ' A' ' 26' ' ' ILE . 1.8 t80 -59.19 -21.72 59.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 74.31 110.89 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.611 HG21 HD11 ' A' ' 88' ' ' LEU . 79.5 t -55.85 -25.41 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.484 . . . . 73.25 111.171 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -66.96 -20.04 65.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 74.33 110.867 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.7 t -56.47 -25.09 49.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 74.21 110.874 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.476 ' HA ' HG21 ' A' ' 19' ' ' VAL . 32.4 m -57.06 -56.49 21.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 75.02 110.875 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 27.2 pt -69.4 -25.93 30.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 53.43 111.163 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -68.93 -58.04 4.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 71.24 110.953 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 1.071 HD12 HG23 ' A' ' 19' ' ' VAL . 57.1 mt -61.19 -49.16 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 71.53 111.158 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 126' ' ' SER . 73.9 p -58.05 -22.46 50.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 71.43 111.202 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -18.6 47.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 74.02 110.891 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -82.61 -20.95 35.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.862 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.654 HG21 ' CD1' ' A' ' 12' ' ' ILE . 1.5 p -57.43 -23.34 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 71.1 111.142 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.8 pp -59.75 -23.56 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 75.43 111.138 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -33.55 66.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 73.42 110.907 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.05 -35.08 29.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 75.43 111.141 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -71.97 -17.62 62.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 70.12 110.88 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -88.46 -42.31 12.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 71.42 110.821 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -52.58 -69.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 70.33 110.875 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.831 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.818 0.342 . . . . 63.44 110.845 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.68 100.19 1.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 70.53 111.14 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -99.01 -61.81 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 73.3 110.848 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -134.41 152.0 51.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.85 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -147.56 97.27 2.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 74.24 110.838 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -158.63 37.95 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 74.31 110.832 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -146.31 -170.11 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 71.13 110.871 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.736 ' HB3' HD13 ' A' ' 12' ' ' ILE . 3.4 m80 63.48 105.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 74.02 110.863 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.504 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -172.39 -47.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 74.02 111.112 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.402 ' CE ' ' HB3' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -80.3 -44.58 19.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 75.13 110.845 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.4 m -90.29 -18.96 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 64.3 111.132 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.736 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.43 -28.56 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 70.1 111.139 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -52.23 -30.15 26.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 73.33 110.899 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -74.49 -35.6 63.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 61.5 110.857 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.8 mt -62.0 -25.2 36.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 74.15 111.093 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.441 HD12 ' HB2' ' A' ' 71' ' ' PHE . 2.7 tt -56.83 -31.91 65.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 75.03 110.922 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -66.74 -18.76 65.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 74.13 110.887 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.7 -40.81 47.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 62.43 110.902 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.625 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.14 -27.81 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 74.04 111.093 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.736 ' HA ' HD12 ' A' ' 23' ' ' ILE . 4.0 t80 -80.74 -19.04 45.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 72.2 110.919 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.04 -55.15 15.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 73.21 110.887 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -39.66 70.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 74.32 110.914 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 20' ' ' PHE . 83.5 mt -53.26 -34.55 22.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 64.1 111.114 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.9 m -80.59 -24.7 38.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 72.54 110.878 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -80.27 -58.22 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 71.04 110.924 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.7 tt -52.0 -29.69 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 73.14 111.123 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.63 -39.51 95.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 63.21 112.472 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.4 p -91.28 -26.33 19.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.729 0.3 . . . . 75.25 111.122 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -73.34 -33.94 65.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 74.42 110.86 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -71.04 -18.48 62.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 54.11 110.877 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.3 t -59.8 -20.52 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 51.15 111.117 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -86.75 -55.55 3.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 72.53 110.936 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.596 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -56.1 -22.65 29.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 60.14 111.105 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.49 -40.62 32.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 72.41 112.498 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -88.56 -20.21 25.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 73.32 110.852 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -80.21 -38.36 31.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 73.53 110.93 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mp -73.4 -48.04 43.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 70.23 111.135 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.89 -58.2 9.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 72.35 110.903 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.6 mp -51.32 -36.06 40.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 64.54 110.906 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.47 -38.07 68.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 71.21 110.88 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.663 ' HG3' ' HB2' ' A' ' 108' ' ' ALA . 22.9 mm-40 -84.74 -39.83 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 65.31 110.927 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -179.58 -34.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 72.42 110.903 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.39 -1.72 84.51 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 75.52 112.527 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.1 164.54 54.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 64.31 112.479 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 175.42 -176.42 47.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 70.24 112.486 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -103.21 -71.95 0.9 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 53.11 112.472 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.7 -165.3 0.36 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 72.21 112.495 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.84 -177.79 38.0 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 64.43 112.464 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -10.7 29.17 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.258 . . . . 73.43 112.372 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.517 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -81.23 -22.02 39.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 71.14 110.887 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.442 ' OH ' HD11 ' A' ' 98' ' ' ILE . 6.7 t80 -62.62 -27.27 69.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 73.52 110.929 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -62.89 -52.71 62.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 74.32 110.882 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.549 ' HA ' HG12 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -78.38 -26.7 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 45.35 111.145 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.1 t -71.19 -31.74 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 62.44 111.159 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -89.45 -24.27 21.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 64.13 110.93 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.549 HG12 ' HA ' ' A' ' 53' ' ' VAL . 0.5 OUTLIER -88.08 -27.62 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 61.14 111.179 179.867 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.0 mm -91.87 -25.72 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 74.21 111.13 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.498 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -50.88 -60.34 5.72 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.713 0.768 . . . . 73.34 110.898 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.615 ' HB3' HD21 ' A' ' 91' ' ' LEU . 53.9 Cg_endo -69.76 -34.39 14.66 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.691 2.26 . . . . 71.52 112.371 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.3 m -64.04 -32.68 74.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 64.41 110.9 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.04 -59.08 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 72.21 110.901 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -55.83 -25.31 41.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 72.45 110.889 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.601 ' CG ' HD12 ' A' ' 66' ' ' LEU . 4.5 t80 -83.84 -24.93 30.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.25 110.903 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.84 -40.69 73.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.507 . . . . 75.53 110.843 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -63.35 -27.12 69.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 73.21 110.91 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.638 HD13 ' OG ' ' A' ' 84' ' ' SER . 50.4 mt -66.31 -36.48 83.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 65.22 110.941 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.7 p -62.9 -16.31 58.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 61.12 111.175 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.44 -13.14 39.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 64.22 112.498 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.8 HD23 ' HD2' ' A' ' 80' ' ' LYS . 9.6 tp -91.01 -12.57 35.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 72.11 110.922 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.74 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.03 -31.84 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 55.45 111.139 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.441 ' HB2' HD12 ' A' ' 16' ' ' LEU . 58.1 m-85 -95.86 1.05 52.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 54.53 110.882 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -127.17 -47.63 1.47 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 73.15 110.922 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.2 tp -117.68 68.27 5.92 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.625 0.726 . . . . 75.53 110.916 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 129.34 17.43 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.689 2.259 . . . . 75.33 112.321 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.2 m -107.73 -17.05 14.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 75.41 111.144 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -177.99 -170.86 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 71.12 110.885 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -16.68 60.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 72.04 110.85 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.08 39.05 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 75.31 112.51 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.65 -69.75 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.966 0.413 . . . . 74.21 110.922 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.8 ' HD2' HD23 ' A' ' 69' ' ' LEU . 8.7 mmtt -55.49 -29.83 59.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 64.13 110.936 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.74 ' HG2' HG21 ' A' ' 70' ' ' VAL . 9.2 mtt -73.45 -60.98 1.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.897 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 t -59.76 -25.83 65.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 41.2 111.127 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -81.05 -22.44 39.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 70.21 110.931 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.638 ' OG ' HD13 ' A' ' 66' ' ' LEU . 35.8 m -84.36 -27.88 27.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 73.43 110.835 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.456 ' HA ' HD12 ' A' ' 88' ' ' LEU . 8.3 tttm -62.98 -19.94 64.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 73.32 110.904 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.52 -17.96 49.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.854 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.32 -33.75 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 62.31 111.105 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.654 HD13 ' HB3' ' A' ' 120' ' ' LYS . 5.6 mt -69.98 -32.17 70.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 53.42 110.89 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.27 -32.48 55.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.86 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 m -87.2 -20.01 27.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 44.52 110.821 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -80.28 -46.86 15.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 72.4 110.954 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.4 t -53.4 -27.86 26.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 73.4 111.175 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.3 -31.3 53.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 72.54 110.912 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -83.58 -23.79 31.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 61.53 110.871 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.3 tp -83.07 -27.4 30.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 63.3 110.905 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.474 ' O ' HG23 ' A' ' 99' ' ' VAL . 30.3 mttm -64.88 -30.53 71.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 75.12 110.941 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -12.7 61.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 61.42 110.846 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.442 HD11 ' OH ' ' A' ' 51' ' ' TYR . 0.8 OUTLIER -52.15 -24.68 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 70.43 111.126 179.884 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 96' ' ' LYS . 26.3 t -58.35 -20.51 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 62.35 111.145 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.52 -14.88 39.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 73.32 110.88 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.717 ' HB3' HD12 ' A' ' 102' ' ' ILE . 0.4 OUTLIER -98.36 -69.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 71.22 110.919 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.717 HD12 ' HB3' ' A' ' 101' ' ' LEU . 3.2 mp -133.01 73.74 74.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.654 0.74 . . . . 71.23 111.096 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 100.06 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.689 2.259 . . . . 70.41 112.385 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -74.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 74.5 110.873 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.5 p -144.41 -179.28 6.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 75.22 111.13 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.4 m -106.38 -3.2 21.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 64.02 110.868 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.2 m -105.09 -32.48 8.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 72.14 110.849 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.663 ' HB2' ' HG3' ' A' ' 41' ' ' GLN . . . -80.65 -17.24 51.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 45.21 111.091 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.546 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -51.93 -57.6 14.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.621 0.724 . . . . 74.12 111.114 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.75 -21.24 33.81 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.702 2.268 . . . . 74.41 112.325 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.3 tt -75.7 -58.94 2.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 65.41 110.928 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.8 tt -58.08 -26.72 29.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 72.22 111.1 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -54.22 -31.89 50.2 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 63.42 112.454 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -78.69 -39.2 37.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.795 0.331 . . . . 54.44 110.871 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.596 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 3.7 m-85 -67.81 -54.45 18.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 73.15 110.949 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -36.17 60.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 63.42 110.873 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.7 tt -79.51 -27.84 41.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 75.44 110.906 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -52.12 -43.96 64.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 73.25 110.852 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.4 m -71.58 -32.09 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 54.4 111.154 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.654 ' HB3' HD13 ' A' ' 88' ' ' LEU . 16.2 mttp -73.06 -28.89 62.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 65.12 110.93 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -85.97 -24.54 26.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 74.32 110.896 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -52.06 -31.66 31.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 73.04 110.888 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 120' ' ' LYS . 7.1 p -52.32 -29.54 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 64.41 111.092 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -56.54 -27.35 57.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 74.4 110.877 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.2 m -59.55 -21.78 60.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 51.51 110.903 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.7 t -67.85 -20.88 65.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 52.43 110.836 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 12.8 mt -79.76 -53.22 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 63.23 111.151 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -53.09 -37.09 61.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 73.35 110.907 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.625 HD12 HG23 ' A' ' 19' ' ' VAL . 29.9 mt -65.3 -36.59 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 62.31 111.11 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -22.58 59.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 72.3 111.106 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -60.18 -18.41 47.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 71.23 110.846 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -84.72 -19.91 31.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 70.33 110.841 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.59 -25.63 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 65.13 111.156 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.81 -22.86 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 75.31 111.161 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.0 -24.74 32.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 74.14 110.862 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.07 -44.02 7.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 74.41 111.166 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -61.35 -29.26 69.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 73.14 110.886 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -77.41 -51.81 10.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 55.34 110.85 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -52.07 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 71.04 110.839 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 63.12 110.875 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.9 mtp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.74 0.305 . . . . 65.25 110.874 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.34 165.47 13.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 73.34 111.114 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -170.03 156.57 6.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.425 . . . . 73.3 110.87 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 53.86 62.45 2.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 64.22 110.878 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -145.84 162.56 37.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 74.32 110.853 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -134.02 -73.64 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 74.42 110.832 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -64.79 150.73 46.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.21 110.898 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -128.17 106.11 8.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 72.1 110.891 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.512 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -169.59 -47.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 52.52 111.078 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 22.4 mmt -80.14 -44.56 19.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 62.12 110.878 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.31 -18.93 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 72.41 111.126 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.59 ' CD1' HG21 ' A' ' 133' ' ' VAL . 0.3 OUTLIER -83.43 -28.43 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 74.42 111.135 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -73.99 -24.3 59.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 73.13 110.862 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -76.59 -56.21 4.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 73.31 110.914 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.7 mt -52.78 -28.76 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 60.22 111.167 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.48 -43.31 71.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 71.13 110.877 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -66.17 -18.92 65.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 72.34 110.887 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -76.76 -40.54 48.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 63.32 110.904 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.499 HG21 ' HA ' ' A' ' 126' ' ' SER . 0.4 OUTLIER -88.14 -27.73 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 75.04 111.109 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.484 ' HA ' HD12 ' A' ' 23' ' ' ILE . 3.2 t80 -80.84 -18.94 45.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 61.54 110.855 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.98 -52.5 35.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 74.25 110.857 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -32.5 73.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 74.02 110.879 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 20' ' ' PHE . 24.9 mt -54.5 -33.86 27.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 75.24 111.134 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.02 -21.36 40.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 61.13 110.881 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -85.04 -59.01 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 72.14 110.881 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.2 tp -52.08 -29.58 11.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 72.23 111.104 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.95 -36.77 93.47 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 45.43 112.491 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.02 -21.04 20.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.749 0.309 . . . . 74.43 111.13 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -69.43 -29.55 67.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 60.31 110.893 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.4 p -81.91 -17.95 45.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 72.01 110.861 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.5 t -65.13 -20.47 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 42.51 111.138 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -86.21 -59.27 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 71.33 110.886 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.26 -23.19 46.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 24.34 111.107 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.46 -39.83 41.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 62.51 112.532 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.429 ' O ' HD13 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.62 -26.39 21.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 72.1 110.85 -179.862 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 mp -72.27 -38.23 68.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 70.44 110.908 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.718 ' CG2' HD13 ' A' ' 111' ' ' LEU . 1.3 mp -78.47 -37.69 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 72.42 111.105 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -46.18 86.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 72.22 110.9 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.429 HD13 ' O ' ' A' ' 35' ' ' ARG . 2.4 mp -51.85 -47.51 64.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 73.12 110.938 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.35 -34.7 61.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 64.12 110.84 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.744 ' HG3' ' HB2' ' A' ' 108' ' ' ALA . 18.8 mm-40 -56.25 -36.92 69.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 64.12 110.928 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -179.52 -34.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 72.22 110.902 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.78 -9.21 78.37 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.754 -0.736 . . . . 45.14 112.486 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.6 167.56 13.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.741 -0.742 . . . . 63.32 112.497 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 158.3 162.87 12.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 74.34 112.508 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.77 -101.96 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.743 . . . . 73.32 112.496 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.63 175.05 0.35 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 44.11 112.456 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.15 -178.81 28.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.694 -0.765 . . . . 73.53 112.496 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -10.64 29.03 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.654 2.236 . . . . 64.02 112.361 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.53 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -81.36 -35.0 31.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 70.25 110.948 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -61.23 -36.25 79.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.915 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.432 ' HD2' HG23 ' A' ' 53' ' ' VAL . 5.1 t80 -63.99 -51.96 61.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 72.1 110.888 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.432 HG23 ' HD2' ' A' ' 52' ' ' PHE . 63.5 t -69.1 -32.21 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 74.44 111.126 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.5 t -72.6 -37.28 55.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 74.24 111.143 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -84.28 -24.71 29.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 60.21 110.892 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.6 t -85.2 -45.29 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 64.43 111.13 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 35.5 mm -75.12 -22.53 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 72.21 111.141 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.481 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.5 mt-10 -51.24 -60.56 5.48 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.638 0.733 . . . . 71.22 110.848 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.607 ' HG2' HD22 ' A' ' 91' ' ' LEU . 53.5 Cg_endo -69.81 -32.65 17.96 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.654 2.236 . . . . 64.11 112.384 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 66.0 m -64.2 -31.41 72.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 72.41 110.849 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -53.01 -53.44 50.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 72.53 110.894 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -55.77 -25.56 41.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 62.4 110.93 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.569 ' HD1' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -83.9 -24.97 30.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 70.34 110.878 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.83 -38.96 65.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 51.43 110.894 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.45 -25.83 68.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 63.45 110.846 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.569 HD12 ' HD1' ' A' ' 63' ' ' PHE . 52.1 mt -66.53 -32.45 73.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 72.43 110.863 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.7 m -62.59 -20.6 64.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 74.21 111.152 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.29 -13.77 37.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 51.24 112.501 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.73 HD23 ' HD2' ' A' ' 80' ' ' LYS . 11.6 tp -91.01 -11.07 39.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 53.3 110.941 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.721 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.8 t -95.01 -31.99 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 50.21 111.129 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -95.86 1.06 52.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 72.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -119.58 -61.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 64.22 110.943 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.4 tp -139.88 74.42 32.01 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.583 0.706 . . . . 73.02 110.89 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 129.3 17.34 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.638 2.225 . . . . 71.12 112.37 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.4 m -65.7 -14.33 61.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 72.43 111.13 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -177.9 -171.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 64.21 110.83 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.458 ' O ' ' HE1' ' A' ' 81' ' ' MET . 1.7 p -62.85 -16.84 60.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 75.05 110.881 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.8 29.75 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 44.1 112.452 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -71.22 -43.74 66.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.383 . . . . 73.31 110.857 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.73 ' HD2' HD23 ' A' ' 69' ' ' LEU . 11.9 mmtt -81.03 -22.1 39.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 75.53 110.877 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.721 ' HG2' HG21 ' A' ' 70' ' ' VAL . 8.1 mtt -84.41 -44.77 13.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 75.3 110.87 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.0 t -57.62 -22.97 48.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 44.32 111.176 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.664 ' O ' HG23 ' A' ' 87' ' ' VAL . 79.9 mt-10 -81.18 -19.98 42.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 73.42 110.877 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.9 m -74.98 -26.77 59.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 52.2 110.857 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.4 ttmt -74.59 -22.11 59.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 71.51 110.875 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.6 t -87.03 -17.93 31.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 54.44 110.865 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 83' ' ' GLU . 15.9 t -82.07 -34.36 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 63.22 111.105 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 47.0 mt -86.1 -33.54 20.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 63.32 110.922 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.432 ' O ' HG22 ' A' ' 92' ' ' THR . 0.5 OUTLIER -74.56 -37.65 62.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 72.4 110.9 179.792 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 24.1 t -80.93 -19.95 43.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 74.13 110.829 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.607 HD22 ' HG2' ' A' ' 59' ' ' PRO . 2.2 tp -76.99 -48.66 17.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 63.01 110.917 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.8 t -53.77 -27.49 29.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 72.33 111.161 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.74 -35.94 56.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 70.4 110.936 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.4 mmpm? -83.6 -22.96 32.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 75.12 110.921 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 11.3 tp -82.24 -22.83 35.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 60.43 110.931 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -79.82 -36.22 37.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 74.14 110.877 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -12.48 61.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 62.32 110.876 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.89 -24.62 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 71.2 111.132 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.413 HG22 ' HB3' ' A' ' 103' ' ' PRO . 0.8 OUTLIER -57.65 -20.72 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 63.35 111.098 179.86 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -87.27 -18.85 29.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 71.31 110.856 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.809 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -88.35 -68.36 0.77 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.916 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.809 HD12 ' HB3' ' A' ' 101' ' ' LEU . 4.3 mp -139.48 74.2 34.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.73 . . . . 60.33 111.124 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.413 ' HB3' HG22 ' A' ' 99' ' ' VAL . 54.2 Cg_endo -69.73 82.65 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.272 . . . . 73.12 112.395 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 59.0 m -52.06 -68.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 60.2 110.834 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.488 HG21 ' HB3' ' A' ' 41' ' ' GLN . 4.1 p -142.56 131.37 22.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 61.2 111.148 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.9 t -79.58 -5.82 55.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 62.44 110.832 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.48 -31.71 53.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 75.31 110.83 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.744 ' HB2' ' HG3' ' A' ' 41' ' ' GLN . . . -80.84 -17.0 52.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 72.41 111.128 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.545 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -52.22 -57.57 14.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.633 0.73 . . . . 72.33 111.07 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.7 Cg_endo -69.73 -23.32 31.08 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.724 2.283 . . . . 65.04 112.341 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.718 HD13 ' CG2' ' A' ' 37' ' ' ILE . 0.7 OUTLIER -73.59 -58.08 3.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 64.12 110.918 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -56.4 -24.95 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 74.52 111.149 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -52.92 -31.91 40.44 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 44.53 112.511 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -83.75 -33.01 25.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.766 0.317 . . . . 71.32 110.9 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -73.78 -29.57 62.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 73.52 110.916 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.05 -54.07 25.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 71.25 110.898 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -25.96 59.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 61.21 110.94 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -53.33 -39.21 63.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 62.44 110.843 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 20.3 m -71.63 -44.91 63.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 43.32 111.139 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -66.02 -24.81 66.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 63.24 110.887 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -75.85 -31.1 59.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.928 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -51.21 26.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 72.22 110.902 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 6.9 p -58.11 -23.02 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 64.54 111.159 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.503 ' HG2' HD11 ' A' ' 127' ' ' ILE . 0.0 OUTLIER -65.65 -20.03 66.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.911 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.3 -47.62 19.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 70.44 110.862 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.499 ' HA ' HG21 ' A' ' 19' ' ' VAL . 43.1 p -57.77 -35.96 71.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 62.41 110.901 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.503 HD11 ' HG2' ' A' ' 124' ' ' GLU . 37.8 pt -79.02 -24.23 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 55.24 111.136 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -82.53 -29.11 30.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.92 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 63.4 mt -65.25 -35.21 74.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 73.3 111.154 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.83 -22.51 66.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 62.12 111.147 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.16 -18.42 47.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 74.13 110.899 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -85.51 -19.69 30.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.86 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.59 HG21 ' CD1' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.75 -26.77 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 74.55 111.126 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -30.83 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 74.02 111.121 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -21.52 59.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 71.34 110.877 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -44.03 33.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 73.21 111.119 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -76.09 -8.97 58.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 62.33 110.885 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -104.86 -24.79 12.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 71.15 110.841 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.868 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.86 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.775 0.321 . . . . 73.24 110.823 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.1 -174.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 41.21 111.095 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 63.25 165.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 54.23 110.889 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -178.52 125.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 75.34 110.878 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -178.63 176.27 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.856 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -76.76 114.24 15.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 75.22 110.858 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.18 -169.8 0.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 64.04 110.846 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.714 ' HB3' HD13 ' A' ' 12' ' ' ILE . 5.6 m-70 63.53 105.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 75.05 110.851 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.507 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -172.36 -47.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 63.01 111.092 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.26 -44.58 19.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 61.31 110.849 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 t -90.29 -19.04 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 55.04 111.108 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.739 HD12 HG21 ' A' ' 133' ' ' VAL . 0.4 OUTLIER -83.38 -28.53 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 73.25 111.085 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -73.23 -19.62 61.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 71.31 110.847 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -83.98 -19.99 33.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.913 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.8 mm -75.82 -25.05 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 62.11 111.143 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.7 tp -53.85 -45.18 70.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 64.55 110.922 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -65.83 -18.92 65.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 75.41 110.87 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.5 t -76.83 -40.33 48.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 52.42 110.889 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.854 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.09 -27.81 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.15 111.097 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.753 ' HA ' HD12 ' A' ' 23' ' ' ILE . 2.8 t80 -80.83 -19.01 45.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 72.21 110.889 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -68.29 -56.43 8.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 74.13 110.865 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -51.52 -41.26 60.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 63.2 110.878 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.753 HD12 ' HA ' ' A' ' 20' ' ' PHE . 66.4 mt -54.23 -34.81 28.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 72.11 111.136 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.03 -21.06 40.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 64.45 110.837 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.36 -59.01 2.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 62.31 110.903 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 tp -52.1 -29.53 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 72.23 111.173 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.75 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -61.55 -48.3 85.5 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 63.12 112.496 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.05 -29.52 21.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.798 0.332 . . . . 65.11 111.165 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -71.22 -37.64 72.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 73.32 110.919 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -82.03 -28.56 32.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 74.04 110.822 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 27' ' ' GLY . 60.5 t -59.57 -20.7 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 50.31 111.116 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -87.64 -52.84 5.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 73.24 110.876 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.48 -24.07 29.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 64.4 111.082 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.24 -41.79 68.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.779 -0.724 . . . . 63.34 112.507 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.581 ' O ' HD22 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -89.68 -20.35 23.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.37 . . . . 73.12 110.846 -179.811 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mp -78.88 -35.79 43.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 62.25 110.923 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.797 HG13 HD13 ' A' ' 111' ' ' LEU . 1.2 mp -76.89 -52.23 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 62.34 111.168 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -54.56 -51.97 63.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 63.41 110.872 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.581 HD22 ' O ' ' A' ' 35' ' ' ARG . 2.4 mp -51.02 -35.67 35.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 51.34 110.921 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 m -82.02 -28.93 32.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 63.05 110.909 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.626 ' CD ' ' HB2' ' A' ' 108' ' ' ALA . 3.5 mm-40 -63.51 94.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 74.2 110.895 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -141.47 12.75 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 72.55 110.889 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.04 -27.96 47.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 73.14 112.485 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -131.73 -36.47 0.32 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 54.42 112.462 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.72 147.23 10.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 51.15 112.443 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -173.5 178.06 45.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.683 -0.77 . . . . 73.45 112.429 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.24 -171.99 0.45 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 75.12 112.478 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -92.02 179.97 41.29 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.685 -0.769 . . . . 63.32 112.445 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -10.93 29.71 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.667 2.245 . . . . 60.22 112.349 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.531 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -79.34 -28.18 42.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 62.41 110.883 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -30.47 68.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 74.41 110.911 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -65.09 -47.83 75.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 74.24 110.871 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -26.44 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 74.51 111.109 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 t -78.54 -31.74 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 75.14 111.138 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.408 ' N ' HD22 ' A' ' 55' ' ' ASN . 1.6 m-80 -89.18 -24.66 22.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 75.11 110.905 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.0 t -85.61 -45.33 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 71.13 111.14 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 36.4 mm -75.11 -22.39 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 74.41 111.144 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.485 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.6 mt-10 -51.68 -60.56 5.7 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.633 0.73 . . . . 71.4 110.914 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.8 Cg_endo -69.76 -26.59 27.43 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.688 2.259 . . . . 73.0 112.357 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -32.79 74.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 62.43 110.884 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.81 -58.46 7.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 64.14 110.9 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -55.73 -25.57 41.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 73.3 110.905 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.541 ' CE2' HD21 ' A' ' 88' ' ' LEU . 2.6 t80 -84.09 -24.85 30.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 70.13 110.889 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -41.58 80.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 55.22 110.835 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -64.83 -27.45 68.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 63.54 110.889 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.753 HD13 ' OG ' ' A' ' 84' ' ' SER . 45.6 mt -67.22 -37.95 84.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 65.44 110.876 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.7 p -62.84 -16.39 58.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 72.35 111.143 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.85 -13.38 37.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 73.33 112.487 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.784 HD23 ' HD2' ' A' ' 80' ' ' LYS . 9.4 tp -91.01 -10.6 41.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.906 0.384 . . . . 71.23 110.958 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.737 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.08 -31.71 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 63.34 111.103 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -97.11 1.09 49.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 71.51 110.847 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -124.03 -56.61 1.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 53.41 110.922 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 68.3 mt -113.95 72.71 2.2 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.593 0.711 . . . . 64.4 110.954 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 129.05 16.97 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.753 2.302 . . . . 72.23 112.357 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 47.5 m -102.68 -17.15 15.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 51.41 111.149 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -178.01 -170.8 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 65.42 110.861 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -16.69 60.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 71.35 110.85 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.94 39.14 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 71.42 112.428 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.04 -69.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.921 0.391 . . . . 73.51 110.914 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.784 ' HD2' HD23 ' A' ' 69' ' ' LEU . 9.0 mmtt -54.72 -27.92 44.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 72.13 110.915 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.737 ' HG2' HG21 ' A' ' 70' ' ' VAL . 10.2 mtt -76.47 -61.05 2.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 75.24 110.877 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -58.89 -25.99 63.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 42.32 111.15 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -76.68 -28.05 55.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 71.4 110.941 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.753 ' OG ' HD13 ' A' ' 66' ' ' LEU . 51.3 m -84.99 -26.07 27.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 75.11 110.848 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -64.49 -32.2 73.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 55.3 110.967 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -17.97 65.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.871 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.0 t -87.02 -23.02 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 75.21 111.076 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.567 HD11 HG21 ' A' ' 123' ' ' VAL . 35.9 mt -68.7 -36.21 78.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.884 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.507 ' O ' HG22 ' A' ' 92' ' ' THR . 0.1 OUTLIER -79.42 -34.22 41.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 65.33 110.915 179.83 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -81.19 -19.92 42.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 75.51 110.855 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.517 HD12 ' O ' ' A' ' 91' ' ' LEU . 2.1 tp -70.84 -45.95 63.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 65.14 110.908 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.507 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.8 t -53.79 -27.24 27.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 74.42 111.132 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.86 -32.04 60.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 72.1 110.864 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -22.98 32.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 63.45 110.927 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.46 -36.61 26.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.912 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.45 ' O ' HG23 ' A' ' 99' ' ' VAL . 19.7 mttm -65.35 -29.92 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 74.03 110.934 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -12.64 61.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 62.14 110.925 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.89 -24.79 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 74.32 111.107 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 96' ' ' LYS . 25.9 t -57.6 -20.98 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 71.12 111.175 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -87.45 -18.59 29.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 64.05 110.877 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.727 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.2 mp -89.14 -69.6 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 72.14 110.93 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.727 HD12 ' HB3' ' A' ' 101' ' ' LEU . 3.2 mp -137.71 73.9 46.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.584 0.707 . . . . 64.2 111.171 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 78.52 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.731 2.288 . . . . 71.11 112.331 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.499 ' O ' HG23 ' A' ' 105' ' ' THR . 71.0 m -53.88 -74.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 45.24 110.851 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 104' ' ' SER . 1.0 OUTLIER -159.34 175.94 12.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 72.44 111.163 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 t -91.79 7.33 42.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 63.55 110.867 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.6 t -79.72 -42.1 25.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 72.5 110.845 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.742 ' HA ' HD12 ' A' ' 111' ' ' LEU . . . -80.06 -17.03 53.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 73.13 111.125 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.527 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -52.61 -57.55 15.36 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.581 0.705 . . . . 63.11 111.106 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.7 Cg_endo -69.76 -34.48 14.5 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.695 2.263 . . . . 72.0 112.363 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.797 HD13 HG13 ' A' ' 37' ' ' ILE . 28.5 mt -63.34 -55.34 25.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 71.41 110.887 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.407 HG22 ' O ' ' A' ' 108' ' ' ALA . 14.9 tt -68.5 -24.7 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 63.13 111.112 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -69.58 -33.7 72.28 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.759 . . . . 33.25 112.531 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -65.35 -33.34 75.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 53.45 110.904 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -85.09 -18.96 32.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 71.44 110.876 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.17 -52.74 37.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 74.54 110.887 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -24.97 55.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 75.11 110.93 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.05 -31.4 29.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 61.0 110.893 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.57 ' O ' HG23 ' A' ' 123' ' ' VAL . 24.9 p -86.39 -28.17 23.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 52.15 111.137 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -69.09 -37.67 78.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.91 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -74.82 -31.68 61.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 75.34 110.874 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.26 -24.77 64.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 74.51 110.883 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 119' ' ' THR . 64.6 t -56.31 -28.39 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 73.41 111.141 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.52 ' HG3' HD11 ' A' ' 127' ' ' ILE . 0.3 OUTLIER -64.36 -20.23 65.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.937 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 67.9 m -57.59 -23.83 52.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 74.43 110.813 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 130' ' ' THR . 1.4 m -64.08 -53.05 55.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 72.45 110.858 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.52 HD11 ' HG3' ' A' ' 124' ' ' GLU . 27.8 pt -72.1 -25.75 24.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 74.32 111.09 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -70.68 -55.26 9.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 70.03 110.908 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.854 HD12 HG23 ' A' ' 19' ' ' VAL . 20.8 mt -62.4 -47.43 93.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 71.41 111.155 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.479 ' O ' HG12 ' A' ' 133' ' ' VAL . 66.8 p -61.6 -22.57 65.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 75.14 111.113 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.04 -18.61 47.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 72.45 110.909 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -83.94 -24.16 30.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 73.42 110.916 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.739 HG21 HD12 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -60.0 -20.26 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 73.42 111.083 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 2.2 pp -53.84 -28.01 16.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 54.43 111.164 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -52.09 -34.38 43.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 75.02 110.881 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.7 -42.18 8.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 63.42 111.109 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -60.38 -20.24 58.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 74.32 110.851 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -83.64 -53.08 5.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 63.53 110.881 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -52.46 -66.92 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 75.53 110.835 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 74.11 110.822 -179.764 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.78 0.324 . . . . 71.01 110.894 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.69 72.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 74.32 111.104 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -133.04 134.02 43.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 72.12 110.885 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -150.37 79.79 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 63.11 110.834 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -147.97 177.31 9.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 73.23 110.88 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -117.84 -48.43 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 75.14 110.867 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.76 -178.72 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 71.25 110.881 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.705 ' HB3' HD13 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -113.94 107.12 15.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 72.41 110.869 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.517 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -169.07 -47.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 71.04 111.062 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.4 mmt -80.14 -44.49 19.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 65.13 110.864 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.0 t -90.3 -18.96 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 73.12 111.138 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.705 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.3 OUTLIER -83.45 -28.44 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 62.23 111.156 179.882 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -81.16 -21.78 39.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 72.15 110.847 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.04 -49.32 10.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 55.43 110.884 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.7 mt -56.11 -24.99 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 72.44 111.116 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 tt -52.6 -49.48 64.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 74.52 110.916 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt -66.14 -18.83 65.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 74.24 110.887 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -40.3 47.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 63.52 110.913 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.57 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.09 -27.79 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 73.31 111.175 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.789 ' HA ' HD12 ' A' ' 23' ' ' ILE . 3.0 t80 -80.82 -19.0 45.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.923 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -68.19 -53.78 22.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 75.41 110.894 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -38.18 84.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 71.53 110.905 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.789 HD12 ' HA ' ' A' ' 20' ' ' PHE . 58.4 mt -52.15 -35.08 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 75.23 111.124 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -81.02 -26.98 36.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 74.2 110.915 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -76.99 -57.76 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 73.41 110.937 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.702 HG13 HG22 ' A' ' 119' ' ' THR . 10.2 tp -51.75 -29.96 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 73.52 111.135 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.2 -35.35 88.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 63.22 112.493 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.99 -20.94 20.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.32 . . . . 73.34 111.193 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.99 -41.04 68.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 71.41 110.867 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.2 m -66.95 -18.02 65.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 62.4 110.868 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.0 t -70.32 -20.56 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 43.23 111.123 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -86.16 -59.31 2.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 63.22 110.855 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.457 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -56.17 -21.76 24.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 63.02 111.112 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.6 -37.8 26.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.797 -0.716 . . . . 70.24 112.471 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.54 -25.1 22.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.813 0.339 . . . . 63.35 110.889 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 mp -76.03 -40.11 54.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 54.1 110.877 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.455 HG12 HD22 ' A' ' 111' ' ' LEU . 1.3 mp -72.03 -48.66 48.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 70.43 111.119 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -53.84 -60.49 3.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 74.2 110.878 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.483 HD12 ' CA ' ' A' ' 43' ' ' GLY . 5.9 mp -50.78 -36.11 35.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 75.14 110.927 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -55.7 -35.8 66.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 53.13 110.832 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -90.58 -39.07 12.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 64.13 110.919 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -177.77 -35.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 63.22 110.873 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.483 ' CA ' HD12 ' A' ' 39' ' ' LEU . . . 94.61 -26.96 15.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 61.14 112.488 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.05 -105.36 1.81 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 63.41 112.504 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.508 ' O ' HG21 ' A' ' 102' ' ' ILE . . . 151.64 -150.23 22.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 71.32 112.511 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.85 -137.03 24.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 53.32 112.474 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.17 167.91 0.8 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.721 -0.752 . . . . 74.4 112.482 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -96.13 -178.78 35.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.742 . . . . 72.24 112.49 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -10.73 29.29 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.666 2.244 . . . . 72.24 112.332 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.529 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -81.11 -33.89 32.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 72.3 110.899 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -65.75 -41.25 92.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 72.44 110.916 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.84 -30.52 71.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 74.5 110.894 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.548 ' HA ' HG12 ' A' ' 56' ' ' VAL . 48.5 t -88.71 -27.97 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 73.11 111.131 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 50' ' ' LEU . 44.1 t -80.88 -28.43 11.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 72.34 111.155 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.8 -24.68 22.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 72.01 110.875 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 53' ' ' VAL . 4.8 p -88.87 -28.12 5.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 72.14 111.154 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.5 mm -91.26 -25.91 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 74.14 111.119 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.494 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.7 mt-10 -51.3 -60.19 6.26 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.613 0.72 . . . . 75.32 110.902 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.9 Cg_endo -69.71 -33.96 15.71 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.698 2.265 . . . . 65.03 112.356 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.1 m -63.49 -32.23 73.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 75.1 110.927 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -51.99 -52.53 49.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.887 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.02 -25.22 43.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 70.51 110.908 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.31 -24.93 34.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 74.12 110.886 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.27 -39.02 78.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 64.32 110.862 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -57.12 -27.26 61.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.922 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.584 HD12 ' CB ' ' A' ' 84' ' ' SER . 5.5 mt -67.53 -32.91 74.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 74.1 110.926 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.0 m -62.41 -21.96 65.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 73.33 111.16 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.06 -11.24 55.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.693 -0.765 . . . . 74.55 112.493 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.803 HD23 ' HD2' ' A' ' 80' ' ' LYS . 13.5 tp -90.98 -12.47 35.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 72.44 110.941 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.715 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.5 t -94.85 -32.05 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 75.23 111.136 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -86.27 1.14 52.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 55.01 110.892 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.735 ' O ' HD22 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -118.97 -71.24 0.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 70.44 110.911 -179.827 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.735 HD22 ' O ' ' A' ' 72' ' ' TYR . 3.6 mm? -135.3 75.46 58.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 63.43 110.932 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 134.34 27.73 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.675 2.25 . . . . 71.22 112.351 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.0 m -61.7 -17.4 55.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 64.04 111.123 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -177.6 -172.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 61.42 110.845 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.483 ' O ' ' HE1' ' A' ' 81' ' ' MET . 14.8 t -62.09 -17.55 57.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 50.11 110.857 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -172.36 39.1 0.16 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.749 . . . . 53.32 112.507 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -86.15 -41.17 14.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 70.5 110.846 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.803 ' HD2' HD23 ' A' ' 69' ' ' LEU . 1.4 mmtt -81.07 -28.75 35.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 71.13 110.91 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.715 ' HG2' HG21 ' A' ' 70' ' ' VAL . 7.5 mtt -76.89 -48.45 18.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 71.24 110.891 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.6 t -54.64 -30.88 56.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 52.3 111.134 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 87' ' ' VAL . 3.1 mm-40 -86.64 -19.98 28.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 71.35 110.874 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.584 ' CB ' HD12 ' A' ' 66' ' ' LEU . 7.2 p -83.9 -26.3 29.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 63.34 110.913 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.09 -34.22 24.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 74.11 110.906 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.9 t -62.16 -18.03 59.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 75.15 110.864 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 83' ' ' GLU . 4.5 t -84.13 -22.98 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 73.42 111.153 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.505 ' CD1' HG21 ' A' ' 123' ' ' VAL . 56.4 mt -81.37 -35.66 30.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 64.12 110.906 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.5 ' O ' HG22 ' A' ' 92' ' ' THR . 2.2 mmmm -79.62 -34.09 40.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 74.43 110.941 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.1 p -81.07 -19.93 42.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 55.24 110.848 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 91' ' ' LEU . 2.0 tp -70.8 -45.93 63.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 73.01 110.908 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.8 t -53.75 -27.26 27.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 74.21 111.129 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.14 -31.13 61.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 65.33 110.859 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.58 -23.33 32.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 52.11 110.871 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -83.02 -22.98 33.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 71.21 110.96 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -67.34 -32.52 73.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 73.1 110.897 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -12.61 61.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 72.42 110.926 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -52.01 -24.55 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 73.42 111.112 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.412 HG22 ' HB3' ' A' ' 103' ' ' PRO . 0.6 OUTLIER -57.62 -20.75 14.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 74.42 111.177 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -87.26 -18.95 29.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 72.13 110.885 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.775 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -89.27 -68.63 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 65.0 110.88 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.775 HD12 ' HB3' ' A' ' 101' ' ' LEU . 3.9 mp -138.58 74.01 40.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.604 0.716 . . . . 73.41 111.168 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.412 ' HB3' HG22 ' A' ' 99' ' ' VAL . 54.3 Cg_endo -69.7 176.78 6.28 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 71.5 112.394 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.7 p -151.5 -170.01 3.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 74.45 110.867 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 32.3 p -51.74 160.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 72.02 111.171 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.77 6.68 40.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 42.15 110.854 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 67.7 m -82.85 -46.23 13.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 14.53 110.891 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.437 ' HB1' HG22 ' A' ' 37' ' ' ILE . . . -85.02 -17.01 38.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 73.53 111.085 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.533 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -51.74 -57.54 14.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 72.2 111.084 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.0 Cg_endo -69.78 -13.25 34.37 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.7 2.267 . . . . 62.24 112.336 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.455 HD22 HG12 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -83.51 -58.04 2.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.919 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 7.3 tt -56.17 -24.89 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 70.22 111.136 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -69.87 -21.34 76.64 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.717 -0.754 . . . . 75.24 112.504 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -86.76 -49.92 7.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 64.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.457 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 28.5 m-85 -53.24 -36.96 61.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 64.44 110.9 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 33.9 mtm -59.46 -43.47 93.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 75.33 110.9 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.05 -27.01 67.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 64.12 110.9 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -52.36 -36.83 54.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 70.34 110.914 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.702 HG22 HG13 ' A' ' 26' ' ' ILE . 70.1 p -76.69 -49.55 15.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 73.0 111.087 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -58.48 -22.47 55.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 62.35 110.91 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.43 -35.72 21.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 71.3 110.891 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -65.92 -24.42 66.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 63.42 110.858 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.505 HG21 ' CD1' ' A' ' 88' ' ' LEU . 96.3 t -58.11 -24.18 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 61.22 111.133 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -62.26 -20.05 63.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.903 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 36.4 m -58.04 -23.68 55.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.876 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.0 m -68.18 -56.35 9.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 60.53 110.816 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 34.0 pt -66.21 -26.66 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 53.34 111.151 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 27.9 tttt -78.76 -29.9 45.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 71.13 110.955 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.57 HD12 HG23 ' A' ' 19' ' ' VAL . 32.5 mt -83.69 -47.05 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 61.11 111.136 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.498 ' O ' HG12 ' A' ' 133' ' ' VAL . 21.5 p -67.82 -22.52 65.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 71.52 111.123 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -18.67 47.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 72.12 110.916 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -82.0 -21.2 37.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 75.23 110.936 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.498 HG12 ' O ' ' A' ' 130' ' ' THR . 0.6 OUTLIER -69.76 -21.08 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 63.51 111.117 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.5 pp -63.92 -22.99 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 61.11 111.104 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -51.92 -35.42 45.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 75.55 110.896 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.98 -22.39 17.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.105 -0.498 . . . . 54.4 111.12 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -78.5 -3.61 44.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 70.23 110.871 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.12 -18.25 10.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 44.14 110.839 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.15 -37.86 6.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 75.31 110.896 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.852 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.787 0.327 . . . . 54.34 110.904 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.41 157.36 14.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 72.23 111.148 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -96.19 -66.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 72.25 110.823 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -174.76 171.9 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 73.31 110.879 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -159.07 -66.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 65.4 110.881 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -104.83 147.17 28.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 73.13 110.881 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.01 150.28 27.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 60.44 110.867 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.619 ' HB3' HD13 ' A' ' 12' ' ' ILE . 5.8 m-70 -127.93 111.0 13.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 74.13 110.864 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.51 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -168.35 -47.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 60.51 111.075 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.5 mmt -80.17 -44.57 19.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 70.25 110.842 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.27 -18.9 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 55.34 111.156 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.619 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.45 -28.55 7.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 75.33 111.092 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -75.14 -19.78 59.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.881 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -73.7 -31.55 63.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.865 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.4 mm -74.3 -25.17 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 74.01 111.161 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.84 -42.91 72.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.894 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -66.7 -18.84 65.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 64.51 110.907 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -76.8 -40.67 47.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 73.14 110.922 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.574 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.1 -27.85 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 55.01 111.118 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.64 ' HA ' HD12 ' A' ' 23' ' ' ILE . 3.8 t80 -80.82 -18.9 45.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 74.2 110.922 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -67.27 -50.19 61.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 65.33 110.874 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -33.72 75.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 72.4 110.917 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.64 HD12 ' HA ' ' A' ' 20' ' ' PHE . 19.7 mt -53.53 -35.14 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 64.42 111.158 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.99 -22.9 39.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 71.2 110.916 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -81.66 -58.39 3.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 45.13 110.919 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -55.61 -25.53 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 72.22 111.177 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.78 -34.37 89.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 54.15 112.452 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.1 p -91.93 -21.03 20.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 73.01 111.175 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.43 -28.22 66.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 75.3 110.905 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.2 m -81.84 -17.99 45.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 72.04 110.863 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.6 t -69.62 -20.46 23.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 75.25 111.142 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -86.22 -59.16 2.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 64.15 110.888 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.571 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -56.88 -22.42 37.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 52.41 111.088 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.09 -39.4 27.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 75.04 112.44 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.405 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.23 -23.9 23.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 75.23 110.839 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -76.15 -39.41 55.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 73.1 110.886 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.36 -40.61 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 64.43 111.104 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -63.1 -59.14 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 72.53 110.918 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.8 mm? -50.55 -35.94 32.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 72.21 110.903 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.79 -37.8 77.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 51.4 110.844 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -84.91 -38.97 18.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 74.1 110.926 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -179.43 -34.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 64.41 110.876 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.26 -27.95 14.97 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.73 -0.748 . . . . 73.12 112.482 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.02 -169.62 50.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 53.11 112.483 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.67 -142.69 4.41 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 62.1 112.507 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 54.32 -137.0 42.4 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.739 -0.743 . . . . 73.31 112.441 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.48 178.69 0.4 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 64.14 112.493 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.64 -178.53 28.3 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 73.43 112.532 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -10.74 29.29 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.7 2.267 . . . . 75.55 112.335 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.514 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -81.25 -21.97 39.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 64.24 110.88 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -80.08 -31.98 39.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 61.55 110.946 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -30.57 71.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 64.14 110.879 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.554 ' HA ' HG12 ' A' ' 56' ' ' VAL . 48.2 t -88.83 -27.95 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 72.31 111.096 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 50' ' ' LEU . 44.4 t -80.86 -28.45 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 62.02 111.109 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.64 ' OD1' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -88.83 -24.55 22.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 73.03 110.874 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.554 HG12 ' HA ' ' A' ' 53' ' ' VAL . 4.8 p -89.12 -27.98 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 71.53 111.109 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 15.4 mm -91.28 -26.04 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 32.23 111.084 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.494 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -51.38 -60.3 6.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.658 0.742 . . . . 55.11 110.875 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.7 Cg_endo -69.75 -33.35 16.79 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.689 2.259 . . . . 75.3 112.324 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.9 m -63.65 -30.97 72.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 74.02 110.842 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -52.98 -50.44 64.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 52.51 110.919 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.12 -25.74 47.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 74.25 110.866 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.1 -24.87 37.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 73.02 110.903 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.2 m -52.86 -34.37 54.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 53.05 110.82 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.69 -26.24 43.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 73.51 110.91 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 84' ' ' SER . 9.1 mt -70.24 -35.44 73.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 75.44 110.903 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.0 m -62.73 -20.68 65.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 74.13 111.149 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.51 -13.4 41.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.726 . . . . 32.12 112.484 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.759 HD23 ' HD2' ' A' ' 80' ' ' LYS . 11.1 tp -91.04 -9.67 44.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.902 0.382 . . . . 74.1 110.966 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.432 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.0 -31.9 4.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 65.43 111.17 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -97.01 1.14 49.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 75.13 110.919 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -119.24 -60.86 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 74.45 110.922 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.8 mt -140.11 74.57 30.45 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.617 0.722 . . . . 75.44 110.885 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 129.48 17.66 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.667 2.245 . . . . 74.44 112.312 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.3 m -58.24 -21.96 50.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 73.42 111.14 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -176.81 -171.63 0.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 71.43 110.873 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -16.94 59.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.857 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.9 29.0 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 64.41 112.518 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -82.6 -47.39 12.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 64.2 110.906 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.759 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -77.07 -34.67 57.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.35 110.908 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.432 ' HG2' HG21 ' A' ' 70' ' ' VAL . 16.4 mtt -68.07 -55.57 12.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 64.31 110.892 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 t -53.65 -27.55 27.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 75.35 111.148 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.534 ' O ' HG23 ' A' ' 87' ' ' VAL . 49.0 mm-40 -80.77 -30.53 36.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 72.55 110.911 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.44 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.7 OUTLIER -85.01 -21.02 29.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 60.13 110.848 -179.79 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -77.67 -52.97 8.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 70.12 110.908 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.8 t -62.13 -17.99 59.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 52.32 110.857 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 83' ' ' GLU . 3.4 t -73.63 -31.85 33.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 65.12 111.139 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.597 HD13 HG21 ' A' ' 123' ' ' VAL . 6.2 mt -70.3 -33.23 71.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 74.5 110.911 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.96 -28.16 27.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 72.01 110.926 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.3 m -87.25 -19.95 27.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 41.11 110.876 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.36 -44.25 62.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 71.22 110.923 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.5 t -54.28 -26.76 30.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 70.11 111.135 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -27.19 36.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 74.45 110.903 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.49 -29.76 52.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 64.11 110.914 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.64 HD13 ' OD1' ' A' ' 55' ' ' ASN . 8.4 tp -83.16 -28.34 29.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 65.22 110.878 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -65.17 -30.78 71.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 64.22 110.857 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -12.7 61.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 73.42 110.865 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -52.1 -24.7 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 60.42 111.126 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 56.9 t -58.21 -20.46 15.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 74.44 111.171 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -88.11 -16.0 34.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 70.33 110.876 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.603 ' HB3' HD12 ' A' ' 102' ' ' ILE . 0.6 OUTLIER -100.4 -70.96 0.72 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 73.03 110.935 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.603 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.7 mp -128.85 73.76 81.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.602 0.715 . . . . 63.32 111.119 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 113.44 3.37 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 64.15 112.336 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.0 m -75.08 -70.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 62.31 110.897 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.2 p -138.42 179.73 6.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 55.11 111.125 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.8 m -121.97 0.5 9.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.833 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.65 -37.34 7.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 71.23 110.869 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.23 -17.48 52.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 62.42 111.156 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.543 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -52.67 -57.58 15.3 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.64 0.734 . . . . 60.21 111.148 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.5 Cg_endo -69.76 -13.59 34.89 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 62.44 112.352 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.46 -53.49 6.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 73.41 110.948 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 8.4 tt -71.88 -24.62 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 72.52 111.13 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -55.76 -23.81 38.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.723 . . . . 63.03 112.462 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -84.59 -40.77 17.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.777 0.322 . . . . 74.33 110.94 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.571 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 2.7 m-85 -61.75 -39.57 92.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 74.13 110.933 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 11.3 mtp -59.2 -35.29 73.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 63.52 110.897 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.9 tt -71.94 -25.39 61.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 71.44 110.918 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -52.12 -35.58 48.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 74.34 110.86 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 22.9 m -75.58 -39.59 57.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 71.42 111.105 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.45 -32.26 73.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 75.21 110.894 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.63 -41.1 76.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 74.55 110.882 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -61.26 -22.77 65.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 73.53 110.845 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.597 HG21 HD13 ' A' ' 88' ' ' LEU . 89.5 t -57.86 -23.53 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 65.43 111.157 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -59.62 -22.62 62.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 61.2 110.845 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 39.7 m -57.33 -24.38 54.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 53.33 110.897 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.28 -54.91 38.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 71.22 110.873 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 38.7 pt -70.53 -26.26 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 71.55 111.125 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -72.24 -27.88 62.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 74.54 110.916 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.574 HD12 HG23 ' A' ' 19' ' ' VAL . 30.3 mt -84.95 -33.7 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 73.13 111.142 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 40.0 p -63.46 -22.51 66.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 75.41 111.167 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -60.16 -18.5 48.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 73.41 110.848 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -85.54 -19.65 30.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 62.44 110.87 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.516 HG21 ' CD1' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.91 -26.81 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 65.12 111.113 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -30.9 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 74.11 111.143 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -22.1 61.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.866 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.99 -44.01 7.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 73.03 111.143 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -65.47 -15.07 62.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 64.44 110.895 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -92.44 -49.2 6.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 75.32 110.819 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -52.03 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 74.12 110.841 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 70.2 110.886 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.743 0.306 . . . . 70.44 110.886 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.29 129.89 16.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 65.54 111.09 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -103.75 132.79 49.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 51.35 110.846 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -81.93 167.08 19.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 74.25 110.824 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -174.47 -179.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.45 110.893 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -124.73 144.35 50.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 63.44 110.898 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 63.13 104.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 65.13 110.847 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.598 ' HB3' HD13 ' A' ' 12' ' ' ILE . 2.6 m-70 -72.65 108.63 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 70.43 110.87 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.517 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -170.2 -47.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 71.53 111.135 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -44.51 19.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 62.41 110.898 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 t -90.33 -18.93 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 74.31 111.132 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.598 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.3 OUTLIER -83.37 -28.56 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 71.43 111.164 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.53 -19.84 60.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 73.11 110.903 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -83.12 -20.88 33.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 75.31 110.895 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -73.94 -24.97 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 75.24 111.121 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.5 tp -52.84 -49.19 66.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 75.12 110.904 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.95 -18.84 65.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 71.2 110.886 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -40.04 48.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.881 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.141 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.08 -27.7 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 73.24 111.168 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.453 ' HA ' HD12 ' A' ' 23' ' ' ILE . 1.9 t80 -80.91 -18.91 45.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 53.21 110.933 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -69.39 -34.9 75.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 60.3 110.869 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -35.95 74.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.22 110.864 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 20' ' ' PHE . 86.0 mt -51.96 -38.25 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 52.44 111.148 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.1 m -81.0 -23.6 38.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.893 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -77.56 -57.79 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 62.23 110.861 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.9 pp -51.67 -30.02 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 74.34 111.122 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.754 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -60.19 -41.81 98.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.749 . . . . 33.2 112.528 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -28.24 25.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.756 0.312 . . . . 71.11 111.152 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -79.79 -31.64 40.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 73.11 110.899 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.2 t -81.97 -27.23 33.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.44 110.877 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 27' ' ' GLY . 58.3 t -59.67 -20.52 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 62.33 111.118 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.77 -56.48 3.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 74.55 110.89 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.613 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -56.12 -23.35 33.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 73.22 111.095 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.73 -40.76 44.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 55.12 112.49 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.5 ' O ' HD13 ' A' ' 39' ' ' LEU . 26.0 mmm-85 -88.83 -21.86 23.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 74.21 110.828 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -78.71 -36.17 43.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 61.03 110.876 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.687 HG13 HD13 ' A' ' 111' ' ' LEU . 1.0 OUTLIER -73.11 -40.07 57.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 61.01 111.125 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.0 -45.82 63.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 71.25 110.892 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 35' ' ' ARG . 1.5 mp -51.73 -30.66 23.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 72.34 110.913 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.06 -35.16 49.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 43.13 110.899 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.734 ' NE2' ' HB2' ' A' ' 108' ' ' ALA . 64.7 mm-40 -50.85 103.96 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 65.13 110.951 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -131.21 4.39 4.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 63.22 110.897 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.52 ' HA3' HG22 ' A' ' 105' ' ' THR . . . -70.29 -30.15 69.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.792 -0.718 . . . . 63.54 112.44 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 131.08 89.34 0.49 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 71.43 112.528 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.08 -151.88 13.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 51.14 112.513 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -145.66 -81.69 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.755 -0.736 . . . . 44.14 112.495 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.16 165.28 1.28 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 51.25 112.539 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -99.65 -164.93 29.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.747 . . . . 61.33 112.528 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -9.99 27.45 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.688 2.259 . . . . 72.43 112.354 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.4 mt -73.25 -21.99 60.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 72.41 110.923 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -28.16 49.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 75.41 110.943 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.98 -38.85 86.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 75.44 110.903 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.34 -26.35 6.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 52.23 111.131 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t -75.94 -31.93 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 64.01 111.124 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.25 -24.75 22.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 75.33 110.886 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.9 t -85.8 -45.15 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 61.41 111.118 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.7 mm -75.17 -22.41 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 73.34 111.1 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.489 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.69 -60.67 5.49 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.681 0.753 . . . . 74.22 110.918 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.516 ' HB2' HD22 ' A' ' 91' ' ' LEU . 53.2 Cg_endo -69.75 -26.31 27.74 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.663 2.242 . . . . 70.2 112.312 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -35.6 80.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 75.01 110.874 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -54.69 -57.75 10.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.54 110.898 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -55.62 -25.7 40.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 72.32 110.906 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -84.31 -24.9 29.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 64.13 110.899 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.9 m -56.46 -41.35 76.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 75.52 110.83 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -68.44 -26.46 65.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 75.34 110.908 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.745 HD13 ' OG ' ' A' ' 84' ' ' SER . 72.7 mt -69.13 -38.8 79.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 75.02 110.952 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.4 m -62.63 -17.43 60.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 73.22 111.112 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.39 -13.34 38.9 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 44.04 112.492 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.77 HD23 ' HD2' ' A' ' 80' ' ' LYS . 9.7 tp -91.04 -9.36 46.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.892 0.377 . . . . 74.23 110.917 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.706 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.01 -31.68 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 71.31 111.127 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -98.15 1.09 47.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 73.03 110.856 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -123.15 -58.42 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.492 . . . . 71.44 110.935 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 tt -113.79 73.5 2.25 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.557 0.694 . . . . 64.12 110.894 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 129.08 16.97 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.625 2.216 . . . . 74.53 112.357 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.7 m -100.44 -17.55 17.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 64.12 111.201 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -178.04 -170.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.795 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.3 p -63.29 -16.37 60.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 61.51 110.873 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.86 38.29 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 64.21 112.505 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -69.79 -68.57 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 63.33 110.9 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.77 ' HD2' HD23 ' A' ' 69' ' ' LEU . 9.4 mmtt -55.58 -27.29 48.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 75.14 110.897 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.706 ' HG2' HG21 ' A' ' 70' ' ' VAL . 9.9 mtt -77.58 -61.04 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 74.55 110.869 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 t -58.24 -26.18 62.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 73.21 111.088 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -76.64 -29.23 56.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 73.35 110.866 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.745 ' OG ' HD13 ' A' ' 66' ' ' LEU . 51.1 m -85.0 -25.94 27.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 64.01 110.859 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.647 ' HA ' HD12 ' A' ' 88' ' ' LEU . 1.6 mmmt -65.21 -24.48 67.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 71.13 110.901 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.07 -17.93 59.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.873 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.2 t -77.31 -23.03 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 65.43 111.147 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.67 HD11 HG21 ' A' ' 123' ' ' VAL . 4.1 mt -68.6 -35.89 77.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 61.45 110.974 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.509 ' O ' HG22 ' A' ' 92' ' ' THR . 1.9 tppp? -79.03 -34.75 43.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 73.45 110.883 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 t -81.04 -19.99 42.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 74.04 110.88 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.516 HD22 ' HB2' ' A' ' 59' ' ' PRO . 2.0 tp -71.31 -46.03 61.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 73.35 110.94 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.9 t -53.85 -27.3 29.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 72.43 111.159 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.5 -35.76 60.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 71.15 110.906 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -83.57 -22.94 32.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 72.43 110.914 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.61 HD23 ' SD ' ' A' ' 116' ' ' MET . 19.9 tp -82.52 -23.0 34.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 70.41 110.884 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -67.66 -32.83 73.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 70.04 110.905 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -12.49 60.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 65.32 110.868 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.32 -24.75 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 71.4 111.093 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 70.8 t -57.2 -23.29 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 51.33 111.131 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -89.5 -13.74 36.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 71.55 110.867 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.618 ' C ' HD12 ' A' ' 102' ' ' ILE . 3.3 mm? -104.4 69.4 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 72.41 110.966 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.618 HD12 ' C ' ' A' ' 101' ' ' LEU . 2.4 mp 49.93 79.88 0.32 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.625 0.726 . . . . 74.41 111.181 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 151.99 69.08 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.653 2.235 . . . . 64.44 112.325 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 p -82.56 -179.95 7.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 64.45 110.87 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.52 HG22 ' HA3' ' A' ' 43' ' ' GLY . 30.4 p -59.21 -178.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 72.53 111.139 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.48 1.46 41.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 52.32 110.865 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.605 ' O ' HD12 ' A' ' 111' ' ' LEU . 0.5 OUTLIER -94.0 -35.18 12.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 73.32 110.882 -179.835 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.734 ' HB2' ' NE2' ' A' ' 41' ' ' GLN . . . -81.13 -19.45 43.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 61.5 111.137 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.54 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -61.49 -57.51 24.62 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.615 0.721 . . . . 75.43 111.139 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.4 Cg_endo -69.79 -17.71 37.29 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.247 . . . . 72.05 112.363 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.687 HD13 HG13 ' A' ' 37' ' ' ILE . 2.6 mt -83.78 -55.07 4.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 73.1 110.912 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -60.24 -23.9 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 35.41 111.135 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -71.57 -23.75 77.65 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.72 -0.752 . . . . 62.44 112.516 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -78.06 -51.67 9.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 75.3 110.881 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.613 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 34.3 m-85 -63.96 -19.05 64.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 71.43 110.904 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.61 ' SD ' HD23 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -56.14 -64.93 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 71.14 110.873 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 36.1 mt -72.49 -25.02 61.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.261 -0.427 . . . . 74.14 110.886 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -52.0 -34.91 44.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 71.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 86.7 m -78.69 -30.8 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 71.35 111.138 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.669 ' HG2' HD13 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -71.1 -38.25 72.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 72.44 110.902 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.67 -45.32 87.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 73.35 110.855 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -52.04 -31.58 30.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 70.32 110.871 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.67 HG21 HD11 ' A' ' 88' ' ' LEU . 92.8 t -54.54 -26.76 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 70.31 111.114 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.66 ' HG3' HD11 ' A' ' 127' ' ' ILE . 8.9 tt0 -62.4 -19.95 63.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 71.41 110.88 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 7.2 m -54.81 -27.45 41.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 74.54 110.839 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.439 ' O ' HG23 ' A' ' 130' ' ' THR . 22.4 m -66.92 -56.56 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 62.44 110.81 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.66 HD11 ' HG3' ' A' ' 124' ' ' GLU . 24.6 pt -66.53 -24.1 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 51.13 111.126 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.9 tttm -70.77 -57.49 4.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 61.13 110.896 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 1.141 HD12 HG23 ' A' ' 19' ' ' VAL . 28.7 mt -61.4 -47.85 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 71.01 111.118 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.525 ' O ' HG12 ' A' ' 133' ' ' VAL . 71.7 p -58.75 -22.54 58.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 64.14 111.133 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -60.02 -18.63 47.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 74.02 110.866 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -83.64 -25.47 30.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 74.2 110.9 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 130' ' ' THR . 0.5 OUTLIER -64.76 -19.13 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 33.14 111.147 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.7 pp -63.09 -23.73 34.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 74.33 111.117 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.09 -31.77 32.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 74.11 110.884 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.93 -25.36 18.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 70.14 111.137 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -32.97 65.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.845 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -77.01 -46.79 22.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 73.02 110.864 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -56.92 -71.03 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 74.31 110.861 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 63.44 110.853 -179.799 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ttp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.817 0.341 . . . . 73.21 110.896 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.86 151.03 42.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 43.02 111.11 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -158.72 91.97 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 71.43 110.867 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -123.66 176.8 6.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 73.43 110.885 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -158.04 129.62 6.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 72.23 110.871 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.13 -176.31 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 63.12 110.877 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.14 172.6 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.853 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.717 ' HB3' HD13 ' A' ' 12' ' ' ILE . 2.1 m-70 -131.16 106.17 8.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 74.45 110.848 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.52 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -171.43 -47.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 72.4 111.1 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 32.1 mmt -80.24 -44.56 19.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 72.32 110.868 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.4 m -90.3 -18.96 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 64.01 111.096 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.717 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.46 -28.48 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 63.11 111.108 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.22 -23.43 62.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 52.31 110.887 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.37 -31.46 26.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 74.2 110.847 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.8 mm -56.05 -25.04 18.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 74.13 111.124 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.4 tp -51.98 -51.99 53.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 74.01 110.933 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -66.07 -18.8 65.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 72.53 110.898 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -76.99 -40.32 47.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 65.54 110.859 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.003 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.12 -27.78 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 52.54 111.136 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.717 ' HA ' HD12 ' A' ' 23' ' ' ILE . 3.0 t80 -80.83 -18.95 45.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 73.03 110.923 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -68.36 -53.55 23.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 74.44 110.844 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -41.29 71.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 64.43 110.905 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 20' ' ' PHE . 80.4 mt -52.48 -35.53 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 63.44 111.174 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.2 m -81.0 -25.56 37.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 72.35 110.919 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.24 -54.15 6.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 74.13 110.863 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.9 tp -56.49 -24.54 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 43.44 111.108 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.411 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -80.33 -15.98 77.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 74.41 112.474 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.0 m -91.99 -23.5 19.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.755 0.312 . . . . 71.04 111.11 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -84.04 -41.04 17.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 64.41 110.882 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.5 m -62.23 -17.99 59.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 45.44 110.839 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.54 HG22 ' CZ ' ' A' ' 52' ' ' PHE . 62.6 t -60.0 -20.81 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 71.31 111.117 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -87.76 -55.05 3.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 43.24 110.911 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.45 -25.91 18.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 72.31 111.126 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.01 -40.51 88.7 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.742 . . . . 73.03 112.507 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.44 -21.48 22.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.818 0.342 . . . . 73.41 110.892 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mp -78.89 -35.62 43.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 64.31 110.938 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.539 HG23 HD13 ' A' ' 111' ' ' LEU . 1.1 mp -76.18 -50.3 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 73.25 111.088 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.9 -56.45 20.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 71.32 110.903 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mp -51.48 -36.33 43.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 72.04 110.864 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -57.24 -39.42 75.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 61.53 110.843 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.604 ' HG3' ' HB2' ' A' ' 108' ' ' ALA . 14.3 mm-40 -85.13 -41.54 15.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 63.4 110.955 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.76 -35.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 71.43 110.919 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.63 -28.2 14.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.716 -0.754 . . . . 62.4 112.466 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 52.18 -153.68 5.76 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 34.24 112.478 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.33 -114.72 0.3 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 73.1 112.521 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.14 -121.03 12.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 65.44 112.48 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.22 158.53 3.2 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.781 -0.724 . . . . 75.35 112.479 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.45 -164.93 28.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 74.12 112.476 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -9.93 27.3 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.274 . . . . 75.12 112.319 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.504 ' O ' HG23 ' A' ' 54' ' ' VAL . 5.3 mt -73.36 -21.95 60.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 60.54 110.903 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -36.64 58.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 64.13 110.927 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.54 ' CZ ' HG22 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -63.14 -30.49 71.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 74.34 110.88 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.527 ' HA ' HG12 ' A' ' 56' ' ' VAL . 48.2 t -88.63 -27.92 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 74.43 111.122 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 50' ' ' LEU . 38.7 t -80.8 -28.98 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 74.32 111.14 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.15 -24.89 23.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.884 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.527 HG12 ' HA ' ' A' ' 53' ' ' VAL . 4.8 p -88.62 -28.31 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 61.45 111.129 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.0 mm -91.15 -25.88 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 73.4 111.151 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.496 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.1 mm-40 -51.01 -60.16 6.15 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.667 0.746 . . . . 73.41 110.857 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.5 Cg_endo -69.78 -34.27 14.85 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.706 2.271 . . . . 74.34 112.336 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.1 m -63.91 -30.99 72.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 63.11 110.916 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -56.92 -57.63 11.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 75.2 110.887 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.54 -25.74 39.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 75.33 110.905 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -85.06 -24.86 27.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 75.51 110.848 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.65 -39.38 61.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 73.51 110.84 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.573 ' O ' HD23 ' A' ' 69' ' ' LEU . 26.0 mt-10 -76.25 -24.44 54.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 72.33 110.913 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.9 mt -72.87 -45.23 59.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 74.44 110.929 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.407 HG21 ' CD2' ' A' ' 20' ' ' PHE . 6.3 t -73.64 -7.49 52.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 52.41 111.154 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -106.39 -18.61 10.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 42.4 112.471 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 65' ' ' GLU . 2.5 mm? -91.04 -22.14 20.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 75.53 110.887 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.816 HG21 ' HG2' ' A' ' 81' ' ' MET . 17.4 t -89.19 -30.52 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 71.43 111.109 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -91.77 -2.06 57.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 73.04 110.87 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -102.92 -65.11 1.02 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.471 . . . . 74.23 110.897 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.3 mt -153.11 73.0 7.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.593 0.711 . . . . 73.41 110.873 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 129.22 17.21 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.723 2.282 . . . . 62.42 112.36 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -115.59 43.83 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 71.25 111.163 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 178.01 168.47 0.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 51.23 110.855 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 m -68.41 -12.35 61.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 74.54 110.86 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 169.41 42.07 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.744 -0.741 . . . . 70.34 112.502 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.534 ' O ' HG22 ' A' ' 82' ' ' THR . 3.6 mt-10 -51.97 -61.2 2.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.956 0.408 . . . . 72.44 110.908 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -81.07 -23.18 38.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.501 . . . . 74.13 110.879 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.816 ' HG2' HG21 ' A' ' 70' ' ' VAL . 12.0 mtt -64.51 -48.16 76.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.415 . . . . 51.14 110.897 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 79' ' ' GLU . 5.8 t -53.46 -27.9 27.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 71.43 111.135 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.75 ' O ' HG23 ' A' ' 87' ' ' VAL . 8.4 tt0 -70.0 -33.02 71.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 75.23 110.888 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.7 t -64.37 -25.88 68.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 62.14 110.845 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.7 tttt -77.3 -27.88 53.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 73.35 110.931 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.1 t -87.07 -17.96 31.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 44.4 110.852 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 83' ' ' GLU . 84.3 t -76.4 -25.85 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 71.1 111.154 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.593 HD13 ' HB3' ' A' ' 120' ' ' LYS . 53.5 mt -86.01 -35.38 20.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 72.22 110.894 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.487 ' O ' HG22 ' A' ' 92' ' ' THR . 0.2 OUTLIER -79.09 -34.51 43.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 72.51 110.853 179.869 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.4 t -81.4 -19.97 41.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 61.21 110.848 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 91' ' ' LEU . 2.1 tp -71.49 -46.61 59.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 72.21 110.9 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.6 t -53.32 -27.57 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 50.35 111.13 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -42.4 62.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.21 -0.45 . . . . 50.33 110.889 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.64 -22.81 32.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 64.22 110.878 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.68 -22.85 53.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 61.43 110.878 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -83.0 -39.5 21.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 72.45 110.864 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.32 -12.33 60.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 72.53 110.909 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.73 -24.47 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 74.04 111.137 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.487 HG22 ' HB3' ' A' ' 103' ' ' PRO . 0.5 OUTLIER -58.0 -20.24 14.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 72.12 111.116 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -86.87 -16.85 34.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 73.55 110.904 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.744 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 tp -93.0 -67.2 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 64.14 110.913 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.744 HD12 ' HB3' ' A' ' 101' ' ' LEU . 3.3 mp -137.91 74.38 44.37 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.716 . . . . 75.44 111.12 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.487 ' HB3' HG22 ' A' ' 99' ' ' VAL . 54.0 Cg_endo -69.8 146.17 59.13 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.674 2.249 . . . . 63.35 112.371 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 60.7 p -127.18 -170.02 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 63.02 110.89 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 30.1 p -51.9 163.84 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 65.44 111.117 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 t -89.74 5.15 47.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 72.42 110.863 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 57.7 m -88.6 -32.01 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 71.53 110.879 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.604 ' HB2' ' HG3' ' A' ' 41' ' ' GLN . . . -80.41 -16.95 53.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 74.21 111.122 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.537 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -62.04 -57.58 22.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.626 0.727 . . . . 63.31 111.108 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.2 Cg_endo -69.72 -18.75 37.03 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.697 2.265 . . . . 73.43 112.36 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.539 HD13 HG23 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -83.42 -49.86 8.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 75.22 110.887 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.1 tt -56.79 -24.17 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 62.34 111.093 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -52.79 -27.18 27.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 54.04 112.477 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -75.93 -51.87 11.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.792 0.329 . . . . 73.52 110.914 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -69.28 -19.03 63.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 72.13 110.903 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.29 -64.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 75.03 110.916 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.71 -24.98 61.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 50.33 110.899 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -52.08 -55.32 21.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.847 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 97.2 m -63.53 -24.8 67.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 75.15 111.13 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.593 ' HB3' HD13 ' A' ' 88' ' ' LEU . 17.3 mttt -75.53 -41.12 55.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 64.32 110.864 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -62.22 -43.04 99.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 71.11 110.869 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -52.97 -33.74 52.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 75.23 110.879 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.533 HG21 HD21 ' A' ' 88' ' ' LEU . 28.1 t -54.86 -26.35 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 61.35 111.159 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.699 ' CD ' HD11 ' A' ' 127' ' ' ILE . 0.5 OUTLIER -61.15 -19.98 62.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 74.25 110.934 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.0 m -57.88 -39.64 78.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 74.2 110.86 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -56.52 20.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 62.23 110.833 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.699 HD11 ' CD ' ' A' ' 124' ' ' GLU . 25.8 pt -66.24 -24.28 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 74.24 111.135 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -70.79 -55.08 9.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 72.1 110.904 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 1.003 HD12 HG23 ' A' ' 19' ' ' VAL . 22.8 mt -57.09 -38.74 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 74.13 111.138 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 20.4 p -78.45 -22.54 47.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 54.03 111.155 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.19 -18.42 48.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 75.45 110.873 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -84.74 -19.85 32.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 54.22 110.852 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.465 HG21 HD13 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.66 -25.7 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 63.44 111.122 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.67 -22.87 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 75.24 111.121 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -82.4 -25.39 33.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 75.52 110.87 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.08 -43.99 7.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 52.12 111.134 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -60.56 -39.38 87.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 71.22 110.869 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -64.58 -43.86 92.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 63.21 110.835 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 11.3 mtt-85 -51.98 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 75.01 110.859 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 64.51 110.823 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.809 0.338 . . . . 63.44 110.936 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.46 178.85 6.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 71.53 111.128 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -133.55 145.85 50.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 65.5 110.84 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -133.59 179.57 6.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 71.32 110.857 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -123.22 60.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 73.13 110.876 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.47 -173.27 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.851 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.24 171.1 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.874 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.639 ' HB3' HD13 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -119.8 116.17 25.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 73.43 110.852 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.508 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -170.8 -47.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 42.42 111.085 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.19 -44.46 19.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 72.14 110.867 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.36 -18.96 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 65.43 111.107 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.639 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.3 OUTLIER -83.42 -28.47 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 33.25 111.114 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -79.35 -19.77 49.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 73.24 110.859 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -81.2 -43.01 19.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 73.14 110.853 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.3 mt -56.63 -25.15 20.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 71.52 111.13 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.4 tp -55.68 -38.07 69.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 54.51 110.927 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -18.82 65.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 74.22 110.92 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.77 -40.65 47.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 75.22 110.939 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.1 -27.76 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 61.31 111.132 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.797 ' HA ' HD12 ' A' ' 23' ' ' ILE . 3.5 t80 -80.8 -19.02 45.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 75.11 110.872 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -67.52 -54.93 15.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 72.22 110.886 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.425 ' O ' HG22 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -58.34 -39.42 79.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 74.44 110.934 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.797 HD12 ' HA ' ' A' ' 20' ' ' PHE . 46.9 mt -51.69 -34.91 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 70.34 111.186 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.97 -55.6 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 71.45 110.902 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -56.55 13.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.896 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 22' ' ' LYS . 10.2 tp -54.4 -26.96 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 70.5 111.145 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.4 -36.23 92.4 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 70.31 112.477 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.0 -20.97 20.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.771 0.32 . . . . 71.23 111.141 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -72.68 -39.57 66.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 61.41 110.863 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.34 -18.0 63.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 72.34 110.827 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.6 t -61.08 -20.51 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 72.12 111.181 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -86.26 -59.25 2.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 74.21 110.873 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.428 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -55.73 -22.63 24.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 63.4 111.146 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.06 -38.71 29.39 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.744 -0.741 . . . . 75.22 112.492 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.54 -23.38 23.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.811 0.339 . . . . 74.44 110.905 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mp -77.33 -39.16 48.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 71.5 110.88 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.523 HG23 HD13 ' A' ' 111' ' ' LEU . 1.3 mp -74.13 -40.63 51.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 75.51 111.14 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -65.01 -58.67 5.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 75.43 110.878 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.415 HD12 ' HA2' ' A' ' 43' ' ' GLY . 4.6 mp -50.55 -35.8 31.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 73.0 110.942 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.9 t -58.65 -38.68 78.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 63.43 110.849 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.456 ' NE2' HD12 ' A' ' 111' ' ' LEU . 1.8 mt-30 -84.13 -40.13 18.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 72.53 110.892 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -179.57 -34.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 74.32 110.938 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.415 ' HA2' HD12 ' A' ' 39' ' ' LEU . . . 95.95 -23.74 33.01 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 54.33 112.512 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.79 -176.57 5.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 73.51 112.458 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -140.34 -110.52 0.87 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 64.41 112.499 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.583 ' HA3' HG23 ' A' ' 102' ' ' ILE . . . 52.58 -128.99 37.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 65.11 112.47 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.06 -179.83 0.42 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.685 -0.769 . . . . 24.33 112.461 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.49 179.92 51.51 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 73.54 112.447 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -10.87 29.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.643 2.229 . . . . 72.14 112.329 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.518 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -79.28 -21.96 45.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 74.3 110.913 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.57 -29.43 66.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 63.53 110.92 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -60.79 -62.06 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 70.4 110.895 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.509 HG22 ' CG1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -69.73 -26.56 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 71.02 111.14 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 t -72.63 -32.97 43.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 61.11 111.096 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -89.16 -24.66 22.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.866 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.5 t -85.93 -44.94 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 74.53 111.129 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.509 ' CG1' HG22 ' A' ' 53' ' ' VAL . 24.5 mm -75.21 -22.56 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 73.51 111.097 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.49 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.1 mt-10 -51.89 -60.52 5.91 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.608 0.718 . . . . 74.2 110.893 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.602 ' HB2' HD22 ' A' ' 91' ' ' LEU . 53.9 Cg_endo -69.76 -25.92 28.11 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.676 2.251 . . . . 74.21 112.335 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -35.93 81.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.873 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -58.99 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.876 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -55.72 -25.55 40.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 65.25 110.901 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.4 ' HA ' HD12 ' A' ' 66' ' ' LEU . 2.4 t80 -83.41 -24.79 31.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 71.41 110.92 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.09 -42.86 95.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 64.4 110.83 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -64.15 -28.47 69.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 75.32 110.898 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.738 HD13 ' OG ' ' A' ' 84' ' ' SER . 70.6 mt -66.67 -38.04 85.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 70.11 110.919 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.4 p -62.91 -16.25 58.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 60.01 111.122 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.06 -13.47 36.57 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 72.2 112.49 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.773 HD23 ' HD2' ' A' ' 80' ' ' LYS . 9.1 tp -91.03 -11.99 37.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.8 0.334 . . . . 74.12 110.906 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.73 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.04 -31.8 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 65.35 111.105 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -96.34 1.02 51.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 60.52 110.879 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -126.88 -48.08 1.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 75.43 110.882 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 26.9 tp -117.65 68.31 5.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.65 0.738 . . . . 71.22 110.924 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 129.19 17.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.713 2.275 . . . . 72.13 112.35 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.5 m -109.67 -16.65 13.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 74.33 111.095 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -177.91 -171.24 0.28 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 71.21 110.883 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.81 -16.81 59.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 64.25 110.907 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.0 39.16 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.782 -0.723 . . . . 52.53 112.526 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.67 -58.35 5.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 74.43 110.924 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.773 ' HD2' HD23 ' A' ' 69' ' ' LEU . 3.2 mmtm -69.33 -29.78 67.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 72.51 110.886 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.73 ' HG2' HG21 ' A' ' 70' ' ' VAL . 11.0 mtt -72.16 -58.27 3.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 71.13 110.899 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.4 t -56.71 -26.46 56.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 50.43 111.117 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -78.18 -22.05 49.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 72.24 110.869 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.738 ' OG ' HD13 ' A' ' 66' ' ' LEU . 20.0 m -84.99 -25.89 27.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 74.35 110.86 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.68 ' HA ' HD12 ' A' ' 88' ' ' LEU . 14.8 mttt -66.54 -35.72 80.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 63.4 110.892 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.14 -18.03 59.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 55.43 110.862 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.3 t -84.36 -23.28 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 75.14 111.108 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.68 HD12 ' HA ' ' A' ' 85' ' ' LYS . 1.6 mt -69.42 -35.74 76.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 70.22 110.936 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.496 ' O ' HG22 ' A' ' 92' ' ' THR . 14.0 mttp -79.03 -34.56 43.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 64.21 110.878 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.3 t -81.22 -20.04 41.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 72.24 110.873 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.602 HD22 ' HB2' ' A' ' 59' ' ' PRO . 2.1 tp -71.54 -46.13 60.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 74.23 110.944 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.1 t -53.79 -27.26 28.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 62.34 111.138 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -54.78 -30.79 57.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 73.52 110.909 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.58 -23.08 32.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 71.34 110.863 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.03 -40.75 19.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 72.24 110.893 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -62.76 -23.97 67.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 64.4 110.903 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -9.91 59.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 75.32 110.914 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -50.18 -25.21 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 53.54 111.158 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.1 t -58.27 -19.69 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 65.24 111.113 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -87.35 -14.93 39.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 64.24 110.863 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.641 ' C ' HD13 ' A' ' 102' ' ' ILE . 1.1 mp -110.55 -68.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.25 110.891 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.641 HD13 ' C ' ' A' ' 101' ' ' LEU . 3.2 mm -122.42 72.83 39.44 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 73.51 111.074 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 116.54 4.61 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.718 2.279 . . . . 74.32 112.288 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.0 t -105.66 -170.18 1.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 62.53 110.863 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 33.5 p -52.6 138.3 28.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 73.3 111.109 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.55 -8.6 56.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 62.32 110.821 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.3 m -79.56 -31.5 41.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 54.53 110.856 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.92 -17.01 54.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 72.54 111.057 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.539 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -54.69 -57.56 18.49 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.611 0.719 . . . . 60.13 111.105 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.76 -31.76 19.88 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.65 2.233 . . . . 74.54 112.36 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.523 HD13 HG23 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -67.62 -59.26 3.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 64.41 110.974 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.1 tp -56.14 -24.97 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 70.11 111.099 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.33 -21.04 46.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.727 . . . . 62.52 112.449 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -43.75 25.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 71.11 110.9 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.428 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 72.0 m-85 -68.12 -21.69 64.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 72.22 110.906 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 12.3 mtp -68.18 -53.49 24.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 53.13 110.886 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 19.8 mt -56.36 -25.03 47.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 74.03 110.891 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -52.0 -30.17 24.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.852 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 3.2 m -80.0 -34.36 38.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 71.2 111.16 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.465 ' O ' HG12 ' A' ' 123' ' ' VAL . 0.8 OUTLIER -76.09 -28.1 57.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 74.55 110.871 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -85.48 -17.28 36.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 73.32 110.893 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.55 -44.05 62.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 75.42 110.869 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.465 HG12 ' O ' ' A' ' 120' ' ' LYS . 7.6 p -57.19 -23.67 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 73.22 111.113 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -60.52 -20.19 59.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 72.43 110.852 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.5 t -69.68 -20.76 63.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 72.13 110.893 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.43 -55.94 6.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 73.03 110.879 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 28.5 pt -57.36 -25.08 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 72.32 111.095 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -78.13 -33.84 50.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 70.24 110.889 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 64.8 mt -76.45 -54.69 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 64.11 111.149 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.0 p -59.6 -22.49 61.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 72.31 111.165 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.18 -18.45 48.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 75.4 110.904 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.71 -19.85 32.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 74.32 110.89 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.67 -25.73 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 55.2 111.122 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.6 -22.94 14.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 72.32 111.107 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.37 -25.34 33.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 63.02 110.92 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.06 -44.02 7.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 72.52 111.163 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -60.36 -40.65 91.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 73.54 110.854 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -63.3 -43.05 98.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 74.53 110.871 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 12.3 mtt-85 -52.01 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 72.32 110.866 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 53.45 110.878 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 mtp . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.803 0.335 . . . . 64.01 110.894 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.59 167.58 21.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 73.51 111.1 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -135.4 117.01 14.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 50.02 110.878 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -104.78 -178.21 3.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 71.32 110.896 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.42 142.55 27.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 73.3 110.846 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -173.59 -169.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 72.54 110.838 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.1 166.5 22.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 75.53 110.852 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.598 ' CB ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -169.75 123.86 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 62.43 110.841 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.52 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -171.22 -47.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 54.42 111.088 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 28.4 mmt -80.2 -44.51 19.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 74.14 110.905 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 t -90.29 -18.94 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 75.22 111.141 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.686 HD12 HG21 ' A' ' 133' ' ' VAL . 0.3 OUTLIER -83.42 -28.46 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 74.01 111.145 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -72.37 -18.27 61.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 73.43 110.846 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -83.47 -47.48 11.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 71.32 110.81 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.0 mt -56.16 -24.98 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 65.4 111.109 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 tp -51.94 -51.46 56.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 75.55 110.883 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -65.38 -18.86 65.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.883 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.73 -40.26 49.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 73.31 110.95 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.581 HG23 HD13 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.16 -27.7 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 73.12 111.149 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.742 ' HA ' HD12 ' A' ' 23' ' ' ILE . 2.4 t80 -80.89 -18.97 45.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 64.45 110.901 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -68.32 -56.55 8.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 72.34 110.823 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -51.53 -41.05 60.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 70.34 110.934 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.742 HD12 ' HA ' ' A' ' 20' ' ' PHE . 68.0 mt -54.19 -34.76 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 54.01 111.157 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -25.72 61.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 65.21 110.911 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.99 -46.54 11.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 62.22 110.934 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.6 tp -56.48 -24.52 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 71.41 111.142 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.738 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.81 -41.7 93.44 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.771 -0.728 . . . . 54.43 112.478 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -27.66 28.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.754 0.311 . . . . 75.33 111.175 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -70.83 -38.84 73.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.9 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.6 p -82.04 -17.97 44.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 72.35 110.839 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 27' ' ' GLY . 61.8 t -73.83 -20.76 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.22 111.091 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -87.6 -55.41 3.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 65.13 110.877 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.76 -25.93 21.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 73.22 111.102 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.5 -41.02 90.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 72.44 112.529 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.567 ' O ' HD22 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -89.66 -21.84 22.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 52.21 110.891 -179.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mp -77.89 -35.05 51.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.919 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mp -77.34 -52.41 16.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 73.11 111.088 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -54.75 -51.36 65.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 74.02 110.849 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.567 HD22 ' O ' ' A' ' 35' ' ' ARG . 2.0 mp -50.87 -35.42 32.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 55.44 110.879 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 m -82.91 -29.6 29.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 72.23 110.864 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.681 ' CD ' ' HB2' ' A' ' 108' ' ' ALA . 6.8 mm-40 -60.03 97.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 72.12 110.938 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -140.89 12.35 2.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 73.13 110.891 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.97 -25.56 55.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 73.43 112.504 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -131.41 -88.23 0.44 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 64.22 112.459 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 153.19 140.93 3.17 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.706 -0.759 . . . . 53.41 112.473 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.78 -169.28 38.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.711 -0.757 . . . . 73.43 112.458 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.35 -174.34 0.47 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 44.03 112.46 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -98.89 -165.05 30.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.717 -0.754 . . . . 73.13 112.481 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -9.98 27.42 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.708 2.272 . . . . 53.4 112.298 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mt -73.64 -29.67 62.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 75.54 110.932 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -35.47 77.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 64.24 110.891 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.518 ' HD2' HG23 ' A' ' 53' ' ' VAL . 1.8 t80 -64.62 -46.27 83.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 63.32 110.933 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.518 HG23 ' HD2' ' A' ' 52' ' ' PHE . 55.3 t -76.67 -29.38 18.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 71.35 111.172 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.0 t -76.18 -31.57 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 75.04 111.091 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.412 HD22 ' N ' ' A' ' 55' ' ' ASN . 1.6 m-80 -88.66 -24.89 22.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 53.13 110.883 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.6 t -86.06 -44.5 16.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 73.14 111.169 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.4 mm -75.31 -22.89 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 64.54 111.124 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.482 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.77 -60.46 5.96 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.67 0.748 . . . . 75.53 110.897 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.7 Cg_endo -69.8 -25.5 28.35 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.692 2.261 . . . . 73.34 112.354 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -33.17 75.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.32 110.904 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -55.76 -58.45 7.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 71.15 110.918 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -25.48 40.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 74.23 110.883 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.465 ' CG ' HD12 ' A' ' 66' ' ' LEU . 2.2 t80 -84.14 -24.93 30.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 74.33 110.893 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -40.26 69.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 52.43 110.877 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -68.92 -25.97 64.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 74.2 110.917 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.699 HD13 ' OG ' ' A' ' 84' ' ' SER . 61.2 mt -70.12 -39.28 75.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.935 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.7 m -62.61 -17.65 60.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 73.33 111.163 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.11 -13.17 40.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.792 -0.718 . . . . 51.13 112.504 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.764 HD23 ' HD2' ' A' ' 80' ' ' LYS . 9.7 tp -91.01 -9.44 45.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.369 . . . . 71.5 110.914 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.705 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -94.98 -31.67 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 72.12 111.149 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.45 ' HZ ' HG21 ' A' ' 129' ' ' ILE . 44.1 m-85 -98.05 1.03 47.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 62.45 110.887 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -123.09 -58.61 1.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 72.31 110.908 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.2 tp -113.74 73.57 2.23 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.631 0.729 . . . . 75.22 110.909 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 129.06 16.95 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 72.54 112.334 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 49.0 m -100.63 -17.17 17.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 71.2 111.158 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -178.02 -170.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 63.43 110.862 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.5 t -62.98 -16.62 60.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 64.44 110.87 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.76 38.99 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 74.23 112.493 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.84 -69.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.946 0.403 . . . . 70.52 110.875 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.764 ' HD2' HD23 ' A' ' 69' ' ' LEU . 9.8 mmtt -54.56 -26.94 35.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 73.55 110.929 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.705 ' HG2' HG21 ' A' ' 70' ' ' VAL . 9.4 mtt -78.16 -61.05 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 72.44 110.858 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 t -58.39 -26.25 63.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 73.32 111.14 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -77.49 -30.91 53.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 72.34 110.887 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.699 ' OG ' HD13 ' A' ' 66' ' ' LEU . 54.2 m -85.1 -25.69 27.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 71.4 110.847 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -65.41 -28.61 69.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 74.21 110.897 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.41 -18.06 62.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 70.44 110.833 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.8 t -79.91 -22.99 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 75.03 111.135 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.739 HD11 HG21 ' A' ' 123' ' ' VAL . 11.8 mt -68.71 -36.1 78.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 61.54 110.929 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.507 ' O ' HG22 ' A' ' 92' ' ' THR . 7.8 ttmm -79.32 -34.39 42.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 74.42 110.869 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -81.19 -19.96 42.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 75.53 110.844 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 91' ' ' LEU . 2.1 tp -70.96 -46.04 63.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 72.41 110.9 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.507 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.8 t -53.57 -27.46 26.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 75.54 111.16 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -51.95 -39.6 59.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.905 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.7 -22.93 31.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 51.45 110.843 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.05 -41.1 62.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 63.43 110.936 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -64.32 -29.04 70.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 75.04 110.898 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -12.49 61.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 63.33 110.909 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.84 -24.31 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 75.51 111.115 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.498 HG22 ' HB3' ' A' ' 103' ' ' PRO . 0.5 OUTLIER -58.25 -20.0 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 70.05 111.129 179.859 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.59 -15.75 36.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 75.21 110.9 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.96 -66.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 72.44 110.898 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.431 ' H ' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -143.21 73.96 17.72 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.71 . . . . 45.35 111.103 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.498 ' HB3' HG22 ' A' ' 99' ' ' VAL . 53.6 Cg_endo -69.69 79.07 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.722 2.281 . . . . 65.2 112.345 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.04 -74.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 53.41 110.861 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -155.41 176.99 11.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 73.55 111.157 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 34.2 m -88.26 7.41 32.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 50.31 110.833 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.699 ' O ' HD23 ' A' ' 111' ' ' LEU . 40.4 m -83.1 -46.37 12.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 55.15 110.858 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.681 ' HB2' ' CD ' ' A' ' 41' ' ' GLN . . . -79.84 -17.01 54.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 74.31 111.112 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.531 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -53.4 -57.52 16.6 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.62 0.724 . . . . 63.45 111.146 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.9 Cg_endo -69.75 -33.46 16.59 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.677 2.251 . . . . 74.43 112.321 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.699 HD23 ' O ' ' A' ' 107' ' ' SER . 2.8 mm? -51.95 -59.65 4.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 53.3 110.909 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 7.2 tt -56.12 -24.99 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 73.31 111.102 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -67.89 -32.76 78.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.72 . . . . 73.44 112.489 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -71.79 -46.56 57.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 74.11 110.915 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -77.8 -18.97 55.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 71.4 110.917 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -64.97 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 61.44 110.879 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.0 tt -60.66 -25.02 66.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 75.11 110.913 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -52.03 -30.31 24.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 71.11 110.881 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 123' ' ' VAL . 1.1 m -87.05 -27.86 22.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 63.42 111.155 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.65 -44.8 66.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 72.43 110.881 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.09 -31.96 73.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 73.5 110.905 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -63.97 -25.99 68.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 72.31 110.884 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.739 HG21 HD11 ' A' ' 88' ' ' LEU . 12.3 t -68.2 -23.03 28.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 63.43 111.074 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.81 -20.03 65.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 71.42 110.906 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.9 m -75.22 -19.96 59.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 73.12 110.844 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.7 m -63.27 -40.49 97.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 43.15 110.814 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.455 ' H ' HD12 ' A' ' 127' ' ' ILE . 1.7 mp -83.99 -24.8 7.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 72.33 111.09 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -46.91 31.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 62.03 110.896 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.581 HD13 HG23 ' A' ' 19' ' ' VAL . 1.4 tp -57.24 -28.14 29.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 63.31 111.163 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.547 ' O ' HG12 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -76.08 -22.55 55.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 72.12 111.155 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -60.02 -18.65 47.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 74.44 110.889 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.99 -31.91 25.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 51.33 110.909 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.686 HG21 HD12 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -60.14 -19.97 19.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.495 . . . . 45.23 111.179 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.6 pp -61.18 -23.6 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 72.12 111.139 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -56.59 -33.88 66.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.885 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.17 -31.46 19.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 63.25 111.157 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -66.33 -33.47 75.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 72.3 110.864 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -76.77 -51.17 11.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.4 110.838 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -53.57 -69.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 64.44 110.843 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.24 110.872 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.739 0.304 . . . . 75.25 110.886 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 52.37 77.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 51.11 111.128 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -57.9 178.07 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 35.12 110.869 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.32 146.95 44.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 75.44 110.871 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -176.22 173.95 2.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 74.31 110.833 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -96.34 158.01 15.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.895 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.6 t60 57.97 71.56 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 70.23 110.892 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.705 ' HB3' HD13 ' A' ' 12' ' ' ILE . 7.1 m-70 -53.33 106.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 72.05 110.816 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.518 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -171.58 -47.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 75.3 111.098 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -44.55 19.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 72.43 110.806 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 t -90.27 -18.95 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 63.35 111.118 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.705 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.49 -28.4 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 73.5 111.123 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -74.27 -20.51 60.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 53.43 110.851 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -83.05 -46.21 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.875 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.0 mt -56.25 -24.96 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 51.24 111.136 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.93 -54.1 33.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 62.21 110.933 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -61.61 -18.9 61.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.14 110.907 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 t -77.57 -38.53 48.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 74.41 110.895 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.066 HG23 HD12 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -88.14 -28.22 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 73.53 111.092 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.665 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.93 -18.97 45.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 72.45 110.874 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -71.52 -58.02 3.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.882 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -51.49 -41.37 60.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 71.52 110.935 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.665 HD12 ' HA ' ' A' ' 20' ' ' PHE . 59.7 mt -54.1 -34.98 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 73.32 111.129 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.2 m -81.02 -20.99 40.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 65.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -84.32 -59.04 2.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.872 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.2 tp -71.87 -19.99 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 74.41 111.174 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.62 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -78.65 -31.04 46.39 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 71.03 112.482 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 t -91.99 -21.0 20.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.732 0.301 . . . . 71.24 111.155 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -68.55 -32.8 73.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 65.44 110.9 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.99 -25.39 34.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 72.12 110.861 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 27' ' ' GLY . 58.1 t -70.72 -20.51 22.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 62.52 111.101 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -87.33 -55.6 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 73.21 110.881 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.24 -26.05 16.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 73.05 111.081 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.62 -39.79 90.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 63.1 112.478 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.92 -23.35 22.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.341 . . . . 64.2 110.842 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -77.75 -35.5 51.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.93 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.614 HG12 HD22 ' A' ' 111' ' ' LEU . 1.1 mp -75.83 -50.35 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 71.01 111.134 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -55.8 -57.09 13.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 62.33 110.916 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.1 mp -51.47 -36.59 45.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 75.12 110.896 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -56.36 -38.31 71.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 72.35 110.874 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.674 ' CB ' HG21 ' A' ' 105' ' ' THR . 18.0 mm-40 -85.15 -39.88 17.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 53.44 110.888 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -179.45 -34.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 64.45 110.884 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.39 -26.27 16.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 71.25 112.465 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.61 -155.24 44.87 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.712 -0.756 . . . . 70.4 112.524 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.432 ' O ' HG23 ' A' ' 102' ' ' ILE . . . -155.25 157.17 27.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 70.24 112.535 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.57 106.05 1.3 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 70.04 112.504 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.66 138.17 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 35.54 112.5 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.4 -165.39 26.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 24.51 112.5 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -9.38 25.96 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.676 2.251 . . . . 74.25 112.328 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mt -75.72 -40.28 55.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.22 110.934 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.8 -36.14 79.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 73.02 110.883 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.508 ' HE2' HG13 ' A' ' 31' ' ' VAL . 8.5 t80 -64.24 -43.48 94.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 73.21 110.885 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.2 t -78.9 -29.24 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 63.43 111.104 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 t -76.58 -30.97 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 65.11 111.153 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -88.7 -24.66 22.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 74.34 110.934 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.8 t -86.71 -44.27 16.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 63.13 111.153 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.4 mm -75.03 -23.35 17.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 71.01 111.105 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.482 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.8 mt-10 -51.97 -60.57 5.84 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.624 0.726 . . . . 35.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 54.0 Cg_endo -69.78 -23.8 30.32 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.707 2.271 . . . . 71.21 112.338 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -33.91 76.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 65.2 110.879 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -52.19 -57.83 8.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 73.14 110.855 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -25.38 41.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 63.31 110.918 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.05 -24.82 30.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 64.43 110.867 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.48 -39.59 67.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 61.41 110.827 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -65.3 -25.95 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 51.21 110.893 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.1 mt -67.9 -34.41 76.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 52.23 110.944 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.2 m -62.69 -19.37 63.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 70.14 111.151 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.2 -13.6 38.64 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.744 . . . . 51.43 112.515 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.801 HD23 ' HD2' ' A' ' 80' ' ' LYS . 10.9 tp -91.09 -9.31 46.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 63.13 110.881 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.587 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.8 t -94.99 -31.75 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 72.44 111.122 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.526 ' CE2' HG23 ' A' ' 130' ' ' THR . 31.9 m-85 -98.02 1.05 47.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.859 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -123.02 -58.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 71.52 110.956 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tt -113.78 73.6 2.27 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.661 0.743 . . . . 73.3 110.901 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 129.14 17.11 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.705 2.27 . . . . 63.22 112.327 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.2 m -103.41 -15.89 15.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 74.2 111.118 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -177.99 -170.71 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 74.2 110.881 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.24 -16.52 60.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 42.41 110.854 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.07 38.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.684 -0.769 . . . . 51.12 112.471 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.9 -55.01 16.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 73.5 110.923 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.801 ' HD2' HD23 ' A' ' 69' ' ' LEU . 10.3 mmtt -77.11 -19.97 56.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.881 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.587 ' HG2' HG21 ' A' ' 70' ' ' VAL . 13.2 mtt -80.08 -51.64 8.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 61.34 110.883 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.6 t -56.27 -27.23 54.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 71.03 111.138 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -85.31 -19.91 30.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 75.12 110.884 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 75.3 m -82.84 -26.54 31.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 54.12 110.845 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.83 -37.8 39.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 75.25 110.901 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -17.93 59.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 52.31 110.858 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.31 -35.06 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 72.54 111.111 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 80.3 mt -86.06 -33.14 21.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 73.13 110.928 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.416 ' O ' HG22 ' A' ' 92' ' ' THR . 2.6 mtpt -74.22 -37.81 63.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.5 110.921 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.6 t -81.1 -19.91 42.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.875 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 91' ' ' LEU . 2.3 tp -77.52 -48.75 16.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 71.03 110.904 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.8 t -53.72 -27.54 28.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 62.32 111.114 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.84 -38.49 56.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 75.51 110.9 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.62 -22.94 32.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 74.54 110.874 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.5 tp -78.57 -22.95 46.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 64.43 110.912 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -66.33 -31.65 72.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 63.03 110.925 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -12.52 61.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 75.34 110.842 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -52.17 -24.41 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 71.0 111.141 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.7 p -58.59 -19.81 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.45 111.128 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -88.45 -13.95 39.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 62.33 110.93 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.637 ' C ' HD13 ' A' ' 102' ' ' ILE . 1.3 mp -111.34 -69.61 0.86 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 61.14 110.856 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.637 HD13 ' C ' ' A' ' 101' ' ' LEU . 3.0 mm -121.62 71.97 28.94 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.636 0.732 . . . . 71.14 111.089 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -170.9 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 74.2 112.332 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.0 p -128.16 -170.02 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 65.01 110.887 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.674 HG21 ' CB ' ' A' ' 41' ' ' GLN . 60.8 p -86.47 -178.49 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 75.15 111.129 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.69 -7.32 59.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 62.15 110.834 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.05 -31.94 8.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 75.33 110.833 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.548 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -80.6 -17.0 52.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 52.02 111.064 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.545 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -56.49 -57.56 22.5 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.645 0.736 . . . . 74.31 111.091 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.1 Cg_endo -69.81 -23.82 30.17 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.26 . . . . 63.03 112.364 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.614 HD22 HG12 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -72.33 -60.05 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 74.45 110.9 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.548 HG22 ' O ' ' A' ' 108' ' ' ALA . 10.6 tp -66.41 -25.87 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 75.23 111.141 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.95 -26.12 69.91 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.706 -0.759 . . . . 73.43 112.482 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -84.52 -45.77 12.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.79 0.329 . . . . 71.22 110.877 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -57.24 -42.71 82.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 72.3 110.94 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -63.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 73.41 110.892 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.4 tp -61.67 -26.4 67.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 53.22 110.896 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -52.1 -60.89 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 63.25 110.884 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 54.9 m -58.84 -45.17 90.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.51 111.088 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.27 -32.36 66.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 72.04 110.87 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.74 -23.58 56.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 75.44 110.926 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -80.95 -24.47 38.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 65.32 110.894 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.1 t -58.47 -23.13 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 74.23 111.149 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -69.19 -23.07 63.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 64.33 110.882 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.9 -27.88 46.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 74.52 110.88 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.632 ' HA ' HG21 ' A' ' 19' ' ' VAL . 3.1 m -58.92 -40.68 85.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 71.44 110.89 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.444 ' H ' HD12 ' A' ' 127' ' ' ILE . 1.8 mp -83.86 -38.76 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 53.43 111.105 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -50.44 63.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.904 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 1.066 HD12 HG23 ' A' ' 19' ' ' VAL . 23.3 mt -60.72 -55.28 25.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 64.04 111.108 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.54 ' O ' HG12 ' A' ' 133' ' ' VAL . 0.8 OUTLIER -58.08 -22.53 50.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 63.21 111.121 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -59.98 -18.62 47.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 73.5 110.94 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.0 -28.44 27.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 71.22 110.868 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' ' 130' ' ' THR . 0.5 OUTLIER -63.82 -19.53 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 63.11 111.122 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.6 pp -62.84 -23.17 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 75.14 111.157 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.13 -32.01 33.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 60.21 110.888 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.48 -36.69 11.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 70.31 111.151 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -20.21 66.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 63.21 110.846 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -87.12 -46.23 9.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.872 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -54.55 -73.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.852 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 74.32 110.87 -179.808 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ttm . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.776 0.322 . . . . 74.03 110.874 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.05 145.26 26.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 73.53 111.137 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -147.12 114.88 6.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 74.1 110.843 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -136.89 62.76 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 72.33 110.889 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -82.39 -179.67 7.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 51.22 110.878 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -108.87 48.77 0.84 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 62.42 110.88 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -165.59 161.34 18.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 63.44 110.835 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.627 ' HB3' HD13 ' A' ' 12' ' ' ILE . 24.2 m-70 -130.76 109.07 10.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 74.31 110.832 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.515 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -168.89 -47.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 70.21 111.096 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 29.5 mmt -80.08 -44.51 19.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 62.41 110.918 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.7 t -90.31 -18.98 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 64.43 111.119 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.627 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.3 OUTLIER -83.43 -28.52 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 72.23 111.138 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -74.18 -18.51 60.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 64.23 110.89 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -81.4 -44.39 17.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 61.12 110.865 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.2 mt -53.14 -28.9 15.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 75.3 111.113 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -41.49 74.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 71.44 110.889 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -66.67 -18.87 65.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 64.54 110.861 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 t -76.72 -40.79 47.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 41.02 110.874 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.781 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.11 -27.8 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 53.14 111.124 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.404 ' HA ' HD12 ' A' ' 23' ' ' ILE . 3.8 t80 -80.79 -18.97 45.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 62.44 110.891 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -67.05 -48.58 67.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 70.12 110.892 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -39.31 75.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 52.33 110.878 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 20' ' ' PHE . 85.1 mt -53.42 -35.13 24.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 71.42 111.127 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.7 m -80.84 -53.14 6.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 74.04 110.903 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -54.31 -58.13 8.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 60.34 110.934 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.94 -22.78 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 64.51 111.167 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.32 -25.22 74.93 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.774 -0.727 . . . . 71.34 112.489 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.9 p -92.04 -22.77 19.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.746 0.308 . . . . 72.31 111.152 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -72.58 -37.73 68.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 73.45 110.824 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -18.31 65.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 63.32 110.839 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.7 t -59.93 -20.79 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 63.4 111.133 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.7 -55.12 3.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 73.32 110.869 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.508 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -53.5 -25.97 18.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 74.14 111.057 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.87 -40.55 89.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 52.34 112.501 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.4 -21.59 22.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.364 . . . . 63.04 110.902 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 mp -78.86 -35.56 43.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.882 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mp -76.3 -50.43 22.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 54.24 111.128 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -55.72 -56.31 21.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.891 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mp -51.39 -36.66 44.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.878 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 t -57.13 -39.1 74.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 54.44 110.825 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.514 ' HG3' ' HB2' ' A' ' 108' ' ' ALA . 26.8 mm-40 -85.14 -40.65 16.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 73.55 110.944 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -179.45 -34.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 61.2 110.905 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.22 -27.4 17.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 71.43 112.481 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.47 60.51 0.34 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.746 -0.74 . . . . 64.32 112.487 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.92 -115.18 3.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 63.15 112.507 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.57 95.49 0.15 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.722 . . . . 71.44 112.471 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.18 -140.83 26.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.679 -0.772 . . . . 71.14 112.52 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -97.98 179.13 32.46 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 72.52 112.497 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -10.89 29.66 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.669 2.246 . . . . 64.23 112.344 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.516 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -78.81 -21.97 46.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 64.45 110.925 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -32.99 74.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 74.13 110.897 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -66.71 -35.53 80.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 75.23 110.891 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.523 ' HA ' HG12 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -85.77 -25.96 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 64.55 111.088 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 50' ' ' LEU . 44.2 t -82.9 -28.18 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 53.14 111.128 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -89.36 -24.75 21.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 73.32 110.872 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.523 HG12 ' HA ' ' A' ' 53' ' ' VAL . 5.1 p -88.5 -28.35 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 74.35 111.159 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 35.1 mm -91.3 -25.76 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 72.12 111.143 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.498 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -50.95 -60.31 5.83 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.662 0.744 . . . . 73.13 110.88 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.672 ' HB2' HD22 ' A' ' 91' ' ' LEU . 53.6 Cg_endo -69.7 -34.45 14.74 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 73.03 112.374 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.3 m -63.81 -30.3 71.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 61.44 110.874 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -56.97 -57.64 11.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 71.21 110.915 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -55.47 -25.96 39.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 63.14 110.907 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -84.76 -24.95 28.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 61.24 110.88 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.3 m -60.2 -44.03 95.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 72.53 110.848 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.18 -29.4 70.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 71.34 110.89 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.692 HD13 ' OG ' ' A' ' 84' ' ' SER . 37.8 mt -64.12 -31.98 73.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 63.43 110.912 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.0 m -62.54 -20.74 64.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 61.21 111.145 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -97.27 -12.59 48.23 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.757 -0.735 . . . . 65.1 112.445 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.784 HD23 ' HD2' ' A' ' 80' ' ' LYS . 13.2 tp -89.63 -17.29 28.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 64.01 110.919 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.633 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.5 t -86.79 -32.1 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 42.52 111.136 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -90.08 -7.16 54.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 73.42 110.911 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -93.42 -68.45 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 71.54 110.935 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.11 74.39 21.34 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.639 0.733 . . . . 70.31 110.96 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 129.03 16.89 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.692 2.261 . . . . 42.42 112.319 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.404 ' O ' HG22 ' A' ' 75' ' ' THR . 19.5 m -71.91 -9.26 58.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 55.24 111.128 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -177.86 -169.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 74.02 110.845 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.48 -17.84 56.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 71.23 110.874 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.27 38.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 65.53 112.504 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -70.38 -35.06 73.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.922 0.391 . . . . 64.11 110.906 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.784 ' HD2' HD23 ' A' ' 69' ' ' LEU . 1.1 mmtt -81.08 -33.81 33.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 71.54 110.893 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.633 ' HG2' HG21 ' A' ' 70' ' ' VAL . 6.6 mtm -77.22 -47.45 20.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 71.45 110.927 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.9 t -53.25 -29.66 33.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 61.12 111.149 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -81.62 -29.21 33.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 73.41 110.849 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.692 ' OG ' HD13 ' A' ' 66' ' ' LEU . 4.6 m -77.98 -26.6 48.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 51.12 110.885 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.535 ' HA ' HD12 ' A' ' 88' ' ' LEU . 24.1 ttpt -63.07 -19.99 64.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 74.53 110.916 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.94 -17.92 48.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 63.14 110.86 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.5 t -74.13 -25.56 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 65.43 111.104 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.797 HD11 HG21 ' A' ' 123' ' ' VAL . 2.3 mt -68.62 -35.65 77.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 73.02 110.903 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.491 ' O ' HG22 ' A' ' 92' ' ' THR . 0.0 OUTLIER -77.89 -35.26 51.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.879 179.842 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.2 m -81.32 -19.99 41.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 72.13 110.851 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.672 HD22 ' HB2' ' A' ' 59' ' ' PRO . 2.2 tp -72.88 -46.91 50.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 72.42 110.94 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.3 t -53.7 -27.51 28.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 62.52 111.104 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -35.87 60.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 61.32 110.918 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.56 -23.01 32.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.506 . . . . 73.32 110.925 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.0 tp -78.77 -38.48 38.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 73.54 110.943 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.449 ' O ' HG23 ' A' ' 99' ' ' VAL . 10.8 mttt -65.53 -29.91 70.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.856 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.69 -12.37 61.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.918 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.65 -24.52 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 71.42 111.14 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 96' ' ' LYS . 23.4 t -58.03 -20.28 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 54.24 111.154 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -88.24 -15.94 34.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 63.32 110.894 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.51 -67.35 0.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 63.32 110.901 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.423 ' H ' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -144.61 74.22 15.19 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.599 0.714 . . . . 72.12 111.132 179.869 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 78.67 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.64 2.227 . . . . 62.12 112.352 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.93 -74.46 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 70.13 110.871 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.609 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.8 OUTLIER -55.34 100.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 42.22 111.164 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.0 m -98.25 -33.86 10.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 55.55 110.823 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.33 -31.44 54.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 72.02 110.871 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.514 ' HB2' ' HG3' ' A' ' 41' ' ' GLN . . . -80.36 -17.0 53.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 75.23 111.099 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 105' ' ' THR . 2.1 t -51.75 -57.53 14.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.592 0.711 . . . . 72.1 111.113 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.4 Cg_endo -69.81 -14.56 36.1 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.681 2.254 . . . . 73.33 112.283 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.05 -42.44 16.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 54.03 110.886 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.468 HG22 ' O ' ' A' ' 109' ' ' VAL . 0.9 OUTLIER -56.44 -24.58 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 73.22 111.138 179.858 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -52.18 -27.86 24.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.757 . . . . 60.52 112.551 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -37.69 66.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 73.12 110.922 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.508 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 90.9 m-85 -83.04 -26.01 31.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 75.55 110.958 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.54 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 72.21 110.865 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.96 -25.08 57.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 62.13 110.899 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.05 -30.33 59.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 71.52 110.887 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 123' ' ' VAL . 91.6 m -77.33 -24.87 50.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 62.31 111.181 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.459 ' HG2' HD22 ' A' ' 88' ' ' LEU . 16.8 mtmt -81.97 -49.47 10.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.898 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -58.44 -41.04 84.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 65.22 110.885 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -57.54 -31.77 66.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 73.25 110.859 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.797 HG21 HD11 ' A' ' 88' ' ' LEU . 46.9 t -56.34 -24.65 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 63.01 111.117 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -67.21 -19.98 65.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 71.1 110.869 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 43.3 m -63.87 -35.18 79.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.866 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.0 m -66.91 -55.36 14.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 72.42 110.881 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 28.6 pt -65.15 -24.31 35.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.494 . . . . 65.24 111.155 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -74.1 -54.15 8.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 72.42 110.901 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.781 HD12 HG23 ' A' ' 19' ' ' VAL . 17.2 mt -58.72 -48.66 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 72.13 111.109 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.465 HG21 ' HE1' ' A' ' 81' ' ' MET . 31.9 p -61.0 -22.51 64.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 73.32 111.137 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.22 -18.35 47.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 73.12 110.919 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -84.72 -19.91 31.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 72.21 110.899 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.553 HG21 ' CD1' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.58 -25.67 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 72.21 111.16 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.78 -22.88 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 63.12 111.122 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.86 -24.66 33.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.868 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.07 -43.98 7.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 64.53 111.15 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -60.94 -30.58 70.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 74.33 110.89 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -76.09 -52.05 10.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 64.51 110.881 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -52.0 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.92 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 43.22 110.903 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ptp . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.808 0.337 . . . . 72.21 110.875 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.77 57.29 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 71.22 111.071 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -100.43 -179.44 4.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 61.33 110.842 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -79.3 -176.15 5.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 71.22 110.899 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.585 ' HB2' HG21 ' A' ' 136' ' ' THR . 17.3 m-70 56.61 69.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 71.5 110.832 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -104.46 140.78 37.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 72.21 110.898 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 57.58 94.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 70.24 110.895 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.655 ' HB3' HD13 ' A' ' 12' ' ' ILE . 41.1 m170 -53.86 108.75 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 73.03 110.85 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.514 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -168.61 -50.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 74.34 111.077 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.449 ' HA ' ' HE3' ' A' ' 10' ' ' MET . 8.1 mmm -78.11 -43.88 27.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.868 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -90.21 -19.15 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 71.14 111.14 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.655 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.3 OUTLIER -83.3 -28.42 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 64.32 111.097 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -78.49 -20.05 51.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 71.23 110.872 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.24 -33.3 56.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 71.42 110.866 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.3 mm -65.4 -25.4 36.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 41.25 111.135 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 tt -54.71 -44.82 73.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 63.41 110.9 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -66.78 -18.73 65.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.911 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.79 -40.8 46.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 75.2 110.867 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.765 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.13 -27.8 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 65.44 111.098 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.71 ' HA ' HD12 ' A' ' 23' ' ' ILE . 4.1 t80 -80.79 -19.03 45.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.849 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -67.02 -53.38 31.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 44.51 110.875 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -35.15 79.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 54.04 110.923 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 20' ' ' PHE . 38.5 mt -53.89 -33.49 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 70.23 111.145 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.03 -24.7 37.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 70.33 110.871 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.63 -48.17 14.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.889 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -23.35 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 73.23 111.113 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.94 -26.87 47.83 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 64.31 112.484 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.43 -21.72 20.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 74.44 111.182 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -84.15 -31.8 25.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 72.21 110.873 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 t -69.24 -18.16 63.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 70.32 110.849 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.7 t -69.46 -20.46 24.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 73.13 111.134 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -86.2 -59.2 2.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 72.13 110.886 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.542 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -56.3 -21.58 24.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 61.24 111.06 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -79.58 -37.95 22.13 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.764 -0.731 . . . . 63.43 112.522 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.583 ' O ' HD22 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -87.7 -25.16 23.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.339 . . . . 71.35 110.864 -179.899 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 mp -77.85 -40.17 41.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 75.43 110.901 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 37' ' ' ILE . 21.5 mm -75.17 -54.0 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 54.13 111.145 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -50.89 -54.88 20.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 75.24 110.904 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.583 HD22 ' O ' ' A' ' 35' ' ' ARG . 3.1 mp -49.94 -37.27 31.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 74.41 110.941 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -42.23 98.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 75.3 110.865 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.82 ' HG3' ' HB2' ' A' ' 108' ' ' ALA . 23.9 mm-40 -75.87 -41.54 51.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 72.4 110.936 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -177.7 -35.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 51.24 110.885 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.64 2.46 90.53 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 62.11 112.449 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.2 153.69 7.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 74.4 112.511 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.526 ' CA ' HG21 ' A' ' 102' ' ' ILE . . . 171.32 138.55 2.56 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 73.51 112.498 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.24 -87.79 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 71.12 112.441 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.83 -133.82 0.1 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 71.44 112.464 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -97.86 -178.55 33.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.799 -0.715 . . . . 65.21 112.481 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -10.86 29.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.703 2.269 . . . . 52.43 112.322 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.509 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -80.4 -21.94 41.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 74.12 110.923 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.94 -30.83 26.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 73.02 110.925 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -65.51 -46.22 80.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 65.3 110.877 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.711 HG22 ' CD1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -77.75 -26.09 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 63.51 111.145 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.7 t -79.5 -31.18 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 73.32 111.14 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.405 ' N ' HD22 ' A' ' 55' ' ' ASN . 1.7 m-80 -89.11 -24.79 22.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 73.23 110.892 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.1 t -85.71 -44.97 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 73.25 111.115 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.711 ' CD1' HG22 ' A' ' 53' ' ' VAL . 69.5 mt -75.16 -22.8 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 72.22 111.156 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.492 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.8 mt-10 -51.48 -60.49 5.76 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.604 0.716 . . . . 75.01 110.857 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.494 ' HB2' HD22 ' A' ' 91' ' ' LEU . 54.0 Cg_endo -69.77 -32.63 18.17 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.683 2.255 . . . . 73.42 112.308 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 63.2 m -64.28 -30.04 71.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 75.42 110.902 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -58.56 7.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 71.14 110.873 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -25.8 40.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 73.45 110.886 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.18 -24.86 29.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 64.22 110.897 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.02 -38.6 62.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 71.34 110.838 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -56.78 -26.78 58.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 62.24 110.875 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.546 HD12 ' HB2' ' A' ' 84' ' ' SER . 9.0 mt -67.13 -34.91 78.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 73.53 110.914 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.5 m -62.65 -19.24 63.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 73.03 111.175 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.44 -14.45 32.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.7 -0.762 . . . . 30.33 112.461 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.795 HD23 ' HD2' ' A' ' 80' ' ' LYS . 10.0 tp -91.06 -8.87 47.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.853 0.359 . . . . 62.25 110.913 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.598 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.08 -31.67 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 60.33 111.103 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -98.44 1.1 46.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 61.23 110.88 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -123.12 -58.19 1.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 71.03 110.91 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.9 tp -113.93 73.04 2.26 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.604 0.716 . . . . 62.42 110.896 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 129.12 17.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 24.01 112.376 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.7 m -103.06 -14.52 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 72.44 111.145 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -177.97 -171.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 74.51 110.877 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -16.78 60.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 73.23 110.839 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.02 39.18 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.754 -0.736 . . . . 61.41 112.497 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -66.65 -64.94 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.935 0.398 . . . . 75.44 110.852 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.795 ' HD2' HD23 ' A' ' 69' ' ' LEU . 4.0 mmtm -64.58 -21.1 66.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 70.43 110.887 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.598 ' HG2' HG21 ' A' ' 70' ' ' VAL . 17.0 mtt -78.96 -60.34 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 73.12 110.87 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.2 t -56.77 -27.66 59.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 64.42 111.148 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -75.71 -20.67 58.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 74.24 110.903 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.546 ' HB2' HD12 ' A' ' 66' ' ' LEU . 1.8 p -83.76 -26.28 29.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 72.31 110.876 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.467 ' HA ' HD12 ' A' ' 88' ' ' LEU . 4.6 tttm -64.72 -44.62 89.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 70.52 110.899 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -17.92 59.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 63.14 110.875 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.6 t -77.73 -23.01 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 53.01 111.158 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.681 HD11 HG21 ' A' ' 123' ' ' VAL . 6.2 mt -85.21 -34.02 22.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 70.5 110.873 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.427 ' O ' HG22 ' A' ' 92' ' ' THR . 0.9 OUTLIER -78.14 -34.31 49.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 73.32 110.912 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 70.1 m -82.52 -20.0 37.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 65.32 110.858 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.494 HD22 ' HB2' ' A' ' 59' ' ' PRO . 3.8 tp -74.78 -47.85 28.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 65.04 110.881 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.4 t -53.29 -27.65 24.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 55.35 111.12 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.21 -35.11 59.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 60.22 110.95 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.6 -23.0 32.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 74.32 110.905 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.5 tp -81.95 -26.16 34.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 74.52 110.945 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.489 ' O ' HG23 ' A' ' 99' ' ' VAL . 11.6 mttt -67.35 -31.8 72.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 62.44 110.861 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -12.66 61.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 70.33 110.873 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.97 -24.58 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 75.22 111.121 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 96' ' ' LYS . 26.9 t -57.56 -21.14 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 74.11 111.11 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -87.35 -18.82 29.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 71.51 110.866 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.785 ' HB3' HD12 ' A' ' 102' ' ' ILE . 0.5 OUTLIER -88.47 -69.33 0.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.912 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.785 HD12 ' HB3' ' A' ' 101' ' ' LEU . 3.8 mp -138.39 74.07 41.79 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.732 . . . . 71.41 111.121 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 88.09 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.675 2.25 . . . . 62.01 112.337 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.6 p -52.85 -73.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 64.14 110.805 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 67.9 p -142.85 154.92 44.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 72.33 111.125 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.0 m -88.22 -13.33 41.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 63.23 110.886 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 70.7 m -75.94 -33.34 59.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 61.41 110.864 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.82 ' HB2' ' HG3' ' A' ' 41' ' ' GLN . . . -81.14 -17.95 48.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 55.31 111.098 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.527 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -52.52 -57.62 14.97 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.721 . . . . 71.43 111.104 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.2 Cg_endo -69.73 -13.51 34.86 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.661 2.241 . . . . 51.3 112.359 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.32 -43.33 16.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 74.53 110.921 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.443 HG22 ' O ' ' A' ' 109' ' ' VAL . 0.4 OUTLIER -57.25 -24.52 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 62.44 111.129 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -59.37 -20.86 52.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 72.2 112.488 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -83.57 -47.02 11.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 74.14 110.927 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.542 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 33.5 m-85 -69.26 -42.15 75.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 71.23 110.909 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 15.1 mtm -58.8 -49.58 77.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 62.23 110.854 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.96 -25.8 67.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 62.12 110.894 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -52.04 -47.03 65.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 72.52 110.869 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 123' ' ' VAL . 48.5 m -70.56 -26.63 63.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 71.54 111.178 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.426 ' HG2' HD13 ' A' ' 88' ' ' LEU . 5.0 mtmt -74.01 -36.78 64.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 75.43 110.911 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.97 -32.61 65.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 72.51 110.861 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -66.23 -27.8 68.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 75.05 110.886 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.681 HG21 HD11 ' A' ' 88' ' ' LEU . 44.1 t -58.93 -26.61 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 75.24 111.108 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.36 -20.6 65.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 72.44 110.905 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.1 t -57.4 -24.29 54.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 45.52 110.926 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 67.7 m -60.41 -49.21 78.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 62.43 110.849 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 38.6 pt -78.73 -27.23 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 71.25 111.156 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -71.09 -40.88 71.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 72.11 110.921 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.765 HD12 HG23 ' A' ' 19' ' ' VAL . 26.8 mt -72.45 -51.4 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.05 111.106 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.523 ' O ' HG12 ' A' ' 133' ' ' VAL . 72.8 p -60.13 -22.59 63.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 70.4 111.126 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -60.02 -18.61 47.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 75.22 110.9 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -29.04 27.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.881 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 130' ' ' THR . 0.5 OUTLIER -60.54 -19.69 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 73.22 111.131 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.7 pp -62.51 -23.13 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 74.21 111.128 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -52.38 -31.28 33.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 64.12 110.921 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.585 HG21 ' HB2' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -90.67 -36.33 14.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 72.41 111.159 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.65 -15.21 62.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 72.04 110.873 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -92.08 -44.46 8.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 65.21 110.829 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.94 -74.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 75.14 110.86 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 72.34 110.846 -179.814 . . . . . . . . 1 1 . 1 stop_ save_