data_2m7m_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 2m7m _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.862 0.363 . . . . 73.24 110.901 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.64 -26.32 13.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 62.23 111.122 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mt -62.17 -37.82 86.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 64.43 110.896 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -61.67 -49.18 77.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 73.21 110.918 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.59 -27.0 60.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.101 -0.5 . . . . 73.22 110.842 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -65.55 -43.4 90.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 62.51 110.9 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.3 mm -68.56 -22.63 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 73.42 111.135 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.8 78.23 9.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 75.02 110.874 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.14 -16.93 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 75.34 111.119 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -83.78 -1.51 54.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 73.21 110.904 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 49.0 43.76 31.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.725 -0.75 . . . . 71.44 112.514 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.2 p30 -100.32 -15.73 17.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 63.5 110.867 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.88 10.34 77.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.679 -0.772 . . . . 74.21 112.498 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -134.65 137.75 43.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.905 0.383 . . . . 72.21 111.09 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.3 m -123.98 117.74 51.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.441 . . . . 72.11 111.115 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.498 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -83.73 177.57 8.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 60.12 110.907 -179.872 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -47.35 -44.8 24.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.35 110.898 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -58.48 -47.05 85.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 75.44 110.816 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -56.6 -42.57 78.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 75.05 110.886 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.4 t -61.39 -54.7 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 73.32 111.131 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -35.14 65.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 73.04 110.937 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.07 -42.89 79.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 74.45 111.106 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -51.62 -52.65 45.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 72.05 110.828 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -29.6 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 75.31 111.128 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.23 -23.57 67.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 75.43 110.905 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -73.67 -6.92 49.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 75.42 110.933 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -108.32 -24.24 11.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.856 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -175.59 -173.8 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 73.22 110.822 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.78 95.19 5.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 71.03 111.058 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.4 mt -132.83 102.46 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 65.13 111.107 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.78 105.06 12.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 73.51 110.893 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -123.28 101.9 7.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 74.45 110.885 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -42.43 59.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 72.02 110.887 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -49.12 37.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 72.11 110.88 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tp -60.99 -38.86 87.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.31 110.891 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.69 -47.94 81.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 71.4 110.916 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -51.4 64.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 75.04 110.902 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.7 -51.7 68.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 74.03 110.96 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.4 mm -62.39 -32.98 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 74.23 111.166 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -59.42 -52.41 65.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 73.54 110.853 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.0 -31.56 66.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 75.1 110.902 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 m -67.23 -50.95 58.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 75.14 110.787 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.7 mt -67.23 -28.55 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 70.31 111.085 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.459 ' CG ' ' HA2' ' A' ' 49' ' ' GLY . 7.9 t0 -87.23 121.5 29.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 62.53 110.875 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.09 -42.08 97.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 65.44 111.034 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.0 p30 -108.89 -16.26 14.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.243 -0.435 . . . . 74.52 110.865 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.459 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.6 33.03 70.39 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.727 -0.749 . . . . 75.34 112.481 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.451 ' C ' ' H ' ' A' ' 52' ' ' GLU . 37.2 p-10 -84.94 80.12 9.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 65.54 110.88 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.83 -45.35 0.4 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.802 -0.713 . . . . 71.32 112.534 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.498 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -152.22 165.36 35.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 71.41 110.898 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.2 mp -94.15 124.81 46.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 73.3 111.141 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.91 159.83 29.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 65.05 110.893 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -55.79 -46.42 78.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 73.13 110.971 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.46 -48.38 80.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 74.33 110.928 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -58.22 -42.25 85.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.499 . . . . 75.31 110.861 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -63.34 -43.73 96.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 74.33 110.879 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.18 -51.61 68.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 73.4 111.067 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -24.92 66.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 75.04 110.946 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.6 t80 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.86 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.526 0.051 0 CA-C-O 120.853 0.359 . . . . 75.12 110.907 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.26 -27.55 69.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 62.42 111.113 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mt -63.41 -35.88 81.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 73.04 110.936 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 4.1 t80 -62.55 -49.48 75.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 74.4 110.89 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -75.63 -26.89 58.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 70.24 110.898 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -65.82 -43.23 89.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 71.24 110.895 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.0 mm -68.36 -23.89 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 74.33 111.169 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.87 75.17 4.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 72.53 110.855 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.2 t -61.51 -18.44 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 75.23 111.105 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -82.85 -0.82 49.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 73.33 110.88 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.68 45.25 48.11 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.803 -0.713 . . . . 73.4 112.434 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.5 p30 -104.11 -15.81 15.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 74.45 110.878 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.65 12.85 64.93 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.778 -0.725 . . . . 71.35 112.563 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -134.73 138.93 44.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 72.3 111.164 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.7 m -123.9 118.81 55.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 74.32 111.187 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.493 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -84.27 178.06 7.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 75.22 110.857 -179.768 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -47.04 -45.62 21.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 74.01 110.858 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -58.4 -47.56 83.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 70.4 110.916 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -56.18 -41.64 75.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 75.5 110.892 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.22 -54.89 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 73.35 111.127 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -37.41 65.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 73.53 110.843 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.19 -40.95 86.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 73.13 111.076 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -51.82 -51.88 53.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 73.5 110.811 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.87 -29.52 40.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.148 -0.478 . . . . 71.2 111.175 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.49 -23.28 67.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 71.54 110.896 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.97 -7.26 50.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 73.21 110.857 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -107.66 -38.56 5.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 73.23 110.923 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.59 -173.44 3.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 73.13 110.863 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.91 95.22 5.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 72.11 111.097 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tp -133.41 102.38 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 75.04 111.17 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.93 104.98 11.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 75.51 110.918 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -123.83 101.78 7.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 74.12 110.907 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -74.62 -42.36 58.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 72.21 110.942 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -48.79 42.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 74.52 110.84 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tp -61.9 -37.54 84.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.26 -0.427 . . . . 75.34 110.887 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -62.58 -48.2 80.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 71.43 110.943 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.5 -51.36 65.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 74.03 110.897 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.96 -52.01 66.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 63.33 110.887 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.7 mm -61.96 -32.97 55.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.177 -0.465 . . . . 73.13 111.105 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -59.46 -52.76 64.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 74.41 110.862 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.04 -31.79 66.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 74.12 110.915 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m -66.96 -51.22 57.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 72.33 110.903 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 53.0 mt -66.56 -26.26 37.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 73.22 111.131 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.472 ' CG ' ' HA2' ' A' ' 49' ' ' GLY . 8.1 t0 -88.49 121.84 31.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 72.33 110.867 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.12 -43.33 98.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 63.31 111.063 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.7 p30 -108.64 -15.95 14.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 72.14 110.845 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.472 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.79 33.3 72.51 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.697 -0.763 . . . . 73.45 112.468 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.445 ' C ' ' H ' ' A' ' 52' ' ' GLU . 38.0 p-10 -85.42 80.22 9.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 73.44 110.886 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.91 -45.65 0.42 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.811 -0.709 . . . . 63.32 112.474 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -152.49 165.94 33.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 64.25 110.898 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.2 mp -95.46 127.46 47.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 75.11 111.102 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -79.84 159.78 26.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 74.43 110.888 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -54.8 -44.81 74.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 75.22 110.95 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.79 -46.41 90.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 73.21 110.89 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -60.46 -41.39 94.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.848 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -64.16 -45.4 88.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 75.43 110.918 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.66 -51.68 68.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 72.44 111.08 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -65.3 -25.16 67.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 73.34 110.905 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.7 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 74.53 110.88 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.929 0.395 . . . . 75.04 110.952 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.48 -26.49 13.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 73.15 111.023 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mt -61.85 -38.04 86.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.912 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -61.23 -48.86 79.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 72.04 110.868 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -26.82 59.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 74.02 110.899 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -65.82 -42.0 91.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 73.13 110.853 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.8 mm -68.29 -22.83 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 71.41 111.154 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.51 77.2 8.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.34 110.894 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.9 t -64.08 -15.33 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 75.11 111.136 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -82.75 -0.81 49.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 75.21 110.939 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.43 46.68 45.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.64 -0.791 . . . . 51.42 112.506 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.5 p30 -107.86 -15.99 14.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 71.53 110.85 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.24 11.41 75.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 53.21 112.487 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -134.88 137.45 43.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 73.15 111.069 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.0 m -123.95 118.45 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 74.45 111.068 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.512 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -82.57 177.39 8.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 71.32 110.876 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -47.75 -45.64 29.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 73.41 110.935 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -46.57 83.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 65.54 110.913 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -57.09 -41.71 79.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 75.41 110.914 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 65.6 t -61.79 -54.7 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 71.34 111.136 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -35.24 66.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.906 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.38 -42.56 78.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 73.44 111.091 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -51.84 -52.51 48.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 71.14 110.869 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.36 -29.59 42.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.102 -0.499 . . . . 74.14 111.16 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -64.05 -23.55 67.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 75.24 110.881 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -73.53 -7.17 50.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 74.11 110.9 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -108.34 -23.08 12.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 75.4 110.883 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -175.55 -174.01 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 72.0 110.849 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.74 95.14 5.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 75.22 111.132 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pt -132.9 102.22 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 75.22 111.085 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.49 104.85 13.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 74.42 110.937 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -123.42 102.01 7.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 70.3 110.895 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.26 -42.52 59.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.115 -0.493 . . . . 74.12 110.878 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -72.19 -48.8 40.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 73.32 110.965 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.13 -38.91 88.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.939 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.75 -48.0 81.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 72.52 110.927 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -51.44 64.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 74.34 110.894 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.72 -51.85 67.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 72.31 110.867 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.4 mm -62.11 -33.17 57.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 73.31 111.217 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -59.17 -52.05 67.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 74.42 110.952 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.21 -31.33 65.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 75.01 110.908 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.0 m -67.38 -50.68 58.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 72.32 110.858 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 59.1 mt -66.44 -34.79 72.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 65.4 111.153 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.461 ' CG ' ' HA2' ' A' ' 49' ' ' GLY . 7.3 t0 -81.19 120.6 25.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 74.32 110.84 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.92 -40.78 95.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 71.43 111.159 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.3 p30 -109.01 -16.49 14.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 75.32 110.853 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.461 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.38 33.04 69.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 75.21 112.462 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.442 ' C ' ' H ' ' A' ' 52' ' ' GLU . 37.6 p-10 -84.91 80.35 9.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 75.44 110.941 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.9 -45.61 0.42 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.827 -0.702 . . . . 51.43 112.44 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.512 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -152.07 164.79 36.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 74.32 110.868 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.3 mp -92.29 120.25 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 73.12 111.169 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.05 159.68 28.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.883 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -53.89 -46.26 71.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 74.31 110.908 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.29 -50.16 74.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.43 110.922 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -60.11 -41.86 93.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 70.13 110.901 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -62.59 -44.71 95.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.879 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.47 -51.61 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 73.3 111.179 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -25.12 67.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 70.14 110.902 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.2 t80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 74.11 110.902 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.0 pm0 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.849 0.356 . . . . 75.2 110.833 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.25 -26.59 12.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 65.32 111.083 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 mt -61.61 -39.59 91.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 72.3 110.859 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -61.55 -47.22 86.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 74.32 110.919 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -74.15 -26.9 60.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 73.21 110.889 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -66.97 -41.67 86.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 73.1 110.872 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.9 mm -68.35 -23.62 28.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 75.53 111.1 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.42 77.2 4.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 61.24 110.893 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.08 -20.65 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 71.24 111.094 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -82.97 -0.98 51.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 64.2 110.874 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.03 45.89 41.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 72.12 112.53 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.9 p30 -104.01 -16.58 15.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 72.41 110.904 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.85 19.82 71.86 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.741 -0.742 . . . . 65.21 112.504 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -133.68 135.73 44.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.335 . . . . 74.25 111.143 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.0 t -124.11 113.14 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 63.21 111.139 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.48 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -84.86 175.78 8.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 72.12 110.891 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -49.35 -45.86 46.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 75.4 110.867 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.87 -48.29 82.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 73.24 110.939 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.52 -36.77 72.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 73.43 110.859 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.9 t -65.19 -54.92 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 75.22 111.161 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -37.49 68.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 74.35 110.846 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.9 -42.25 77.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 64.53 111.158 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -51.91 -51.67 55.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 63.32 110.85 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.51 -29.5 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 72.14 111.15 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.99 -23.8 63.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.862 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -72.91 -8.29 54.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 74.13 110.879 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -106.5 -24.81 12.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 75.25 110.903 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -175.87 -173.69 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 74.52 110.895 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.78 95.07 5.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 74.54 111.144 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pt -133.31 102.02 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.21 111.135 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.95 104.52 14.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.946 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -123.55 101.42 7.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 64.25 110.87 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.77 -42.71 57.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.856 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.32 -49.22 36.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 75.31 110.929 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 tp -60.83 -38.81 86.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 73.15 110.878 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -63.07 -47.33 83.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 74.12 110.955 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -51.78 65.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 70.42 110.945 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.34 -52.02 66.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.975 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.9 mm -61.07 -34.14 58.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 75.12 111.077 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -59.27 -51.3 70.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 75.15 110.925 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.16 -29.41 63.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 75.44 110.872 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.39 -51.03 40.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 74.52 110.887 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.9 mt -66.8 -40.62 86.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 74.13 111.139 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.464 ' CG ' ' HA2' ' A' ' 49' ' ' GLY . 7.9 t0 -73.98 121.12 20.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 63.41 110.854 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.41 97.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 61.41 111.131 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.6 p30 -108.35 -16.23 14.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 61.21 110.911 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.464 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.52 33.01 69.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.811 -0.709 . . . . 71.11 112.501 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.452 ' C ' ' H ' ' A' ' 52' ' ' GLU . 38.2 p-10 -85.15 79.99 9.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 71.23 110.936 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.91 -45.31 0.41 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.739 . . . . 73.03 112.509 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.48 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -152.67 165.49 35.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 72.13 110.847 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.2 mp -94.51 123.7 46.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.499 . . . . 74.41 111.093 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.57 159.02 30.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 73.43 110.79 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -53.25 -44.13 67.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 71.32 110.94 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -58.3 -50.07 74.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 74.24 110.878 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -60.49 -43.76 96.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 75.44 110.899 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -64.19 -40.8 96.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 75.42 110.867 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.82 -51.94 67.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 75.42 111.156 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -65.78 -24.91 67.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 72.34 110.971 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 74.14 110.877 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.813 0.34 . . . . 72.14 110.908 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.0 -27.33 13.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 72.4 111.105 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 mt -60.64 -39.78 89.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 73.34 110.932 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 3.3 t80 -62.39 -48.03 81.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.897 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.2 -26.85 62.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 73.31 110.89 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -68.26 -42.11 80.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 63.41 110.831 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.8 mm -68.39 -24.09 29.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 74.34 111.153 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -76.03 75.37 2.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 75.32 110.893 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.3 -21.84 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 73.34 111.105 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -83.0 -0.97 51.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 72.43 110.89 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.22 46.24 43.5 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 63.31 112.552 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.7 p30 -104.9 -16.81 14.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 72.43 110.838 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.5 19.34 72.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.745 -0.741 . . . . 64.0 112.526 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.401 ' HB1' ' HG2' ' A' ' 52' ' ' GLU . . . -133.98 135.37 43.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.775 0.321 . . . . 73.0 111.124 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.5 t -124.31 113.2 35.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 71.3 111.131 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.474 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -84.49 175.8 9.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 45.5 110.886 -179.844 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -49.4 -46.03 46.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.118 -0.492 . . . . 75.23 110.887 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.67 -48.58 81.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.888 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -57.36 -36.4 71.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 75.33 110.884 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.44 -55.06 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 72.52 111.159 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -38.03 67.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 73.43 110.909 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.58 -41.8 79.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 72.23 111.115 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -51.82 -51.72 54.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 73.24 110.866 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.68 -29.47 41.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 73.11 111.119 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.17 -23.55 64.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 73.2 110.871 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -8.44 55.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 75.31 110.871 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -106.02 -24.89 12.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.445 . . . . 71.13 110.828 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -176.24 -173.91 0.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 73.11 110.815 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.74 95.02 5.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 75.14 111.128 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.9 mt -133.15 102.23 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 61.24 111.119 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.79 104.96 13.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 74.45 110.888 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -123.37 101.49 7.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 75.14 110.893 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -42.64 58.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 73.15 110.924 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -49.05 38.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 74.31 110.901 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tp -60.95 -38.35 85.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 60.33 110.962 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -62.82 -47.56 82.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 74.32 110.976 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -51.68 65.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 73.12 110.938 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.56 -51.94 66.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 74.15 110.912 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.3 mm -61.29 -32.38 52.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 71.43 111.194 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -60.97 -51.4 69.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 73.41 110.872 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -30.16 64.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 74.01 110.901 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.9 m -70.05 -50.35 42.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 74.22 110.845 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.7 mt -66.08 -32.66 59.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 73.15 111.115 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.456 ' CG ' ' HA2' ' A' ' 49' ' ' GLY . 7.9 t0 -83.65 120.73 26.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 74.23 110.879 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.69 -41.62 95.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 72.42 111.136 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.8 p30 -108.3 -15.93 14.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 73.2 110.871 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.456 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 59.13 33.11 73.24 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.692 -0.766 . . . . 73.22 112.531 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.449 ' C ' ' H ' ' A' ' 52' ' ' GLU . 38.7 p-10 -86.02 79.86 9.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 72.43 110.86 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.77 -45.51 0.4 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 60.15 112.458 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.474 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -152.5 165.55 34.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.815 0.341 . . . . 75.33 110.849 -179.796 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.3 mp -93.37 123.86 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 74.33 111.126 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -76.69 159.4 30.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 74.11 110.856 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -53.81 -44.98 70.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 74.35 110.976 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -49.97 75.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 71.13 110.854 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -59.76 -43.38 94.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 73.12 110.869 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -63.96 -41.73 97.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 72.43 110.908 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.28 -51.77 68.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 70.33 111.116 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -66.33 -24.82 66.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.914 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.0 t80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 72.44 110.89 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.903 0.383 . . . . 74.21 110.905 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.11 -26.96 12.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 74.05 111.113 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mt -61.42 -37.83 84.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.442 . . . . 71.41 110.973 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -60.61 -49.18 78.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 75.34 110.893 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -26.71 58.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 72.33 110.943 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -65.56 -41.12 93.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 75.21 110.869 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.6 mm -68.3 -23.82 28.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 71.44 111.13 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.43 75.09 6.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 74.41 110.942 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.1 t -61.42 -19.27 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 74.33 111.067 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -82.91 -0.55 48.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 62.1 110.921 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.53 46.37 53.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 73.51 112.537 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -102.76 -15.69 16.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.849 0.357 . . . . 62.12 110.825 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.45 8.92 67.65 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.751 -0.738 . . . . 52.31 112.502 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -134.28 139.44 45.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 63.43 111.09 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.5 m -124.05 117.12 49.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 71.25 111.14 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.508 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -82.75 177.47 8.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 65.1 110.825 -179.847 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -47.47 -45.4 26.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 72.44 110.971 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.52 -46.58 83.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 73.55 110.971 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -56.75 -41.57 77.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 72.42 110.943 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.2 t -61.67 -55.05 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 74.32 111.056 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -34.67 66.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 75.43 110.875 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.34 -43.12 78.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 75.33 111.05 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -51.48 -52.57 45.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.53 110.848 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.54 -29.45 41.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 73.1 111.123 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.48 -23.43 67.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 72.23 110.819 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -73.46 -7.36 51.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 72.24 110.867 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -108.56 -22.39 12.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 70.54 110.944 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -176.22 -173.81 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 75.32 110.905 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.52 95.08 5.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 71.41 111.162 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -133.17 102.3 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 75.44 111.102 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.78 105.17 13.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 75.22 110.917 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -123.1 101.7 7.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.902 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -41.48 60.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 73.21 110.894 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -50.98 24.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 75.1 110.882 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.7 tp -60.07 -38.9 84.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.294 -0.412 . . . . 74.5 110.889 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -62.05 -47.94 82.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 74.32 110.968 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -51.72 64.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 74.44 110.86 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.83 -51.86 67.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 73.22 110.926 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.3 mm -61.76 -33.26 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 75.0 111.153 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -59.33 -52.14 66.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 73.41 110.868 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -72.27 -31.03 65.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.479 . . . . 74.53 110.877 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.3 m -67.74 -50.99 54.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 73.54 110.855 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 57.4 mt -66.52 -32.78 59.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 74.45 111.169 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.462 ' CG ' ' HA2' ' A' ' 49' ' ' GLY . 7.5 t0 -83.21 121.06 26.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 74.22 110.888 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.34 -41.49 96.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 71.54 111.057 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.8 p-10 -109.11 -16.37 14.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.302 -0.408 . . . . 72.51 110.857 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.462 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.82 32.92 71.06 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.73 -0.748 . . . . 64.44 112.544 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.444 ' C ' ' H ' ' A' ' 52' ' ' GLU . 35.8 p-10 -84.25 80.06 9.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.809 0.338 . . . . 70.12 110.856 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.76 -45.67 0.4 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.75 -0.738 . . . . 64.34 112.523 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.508 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -151.83 165.15 35.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.322 . . . . 75.23 110.933 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.3 mp -93.51 122.23 44.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 74.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -80.44 159.7 25.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 73.51 110.884 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -53.08 -46.16 68.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.925 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -58.35 -50.2 74.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 73.43 110.917 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -60.29 -41.91 94.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 73.53 110.942 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -62.59 -43.92 97.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 72.43 110.913 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.23 -51.58 68.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 75.1 111.089 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -63.99 -25.14 68.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 72.31 110.928 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.9 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 74.45 110.929 179.928 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.833 0.349 . . . . 75.21 110.871 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.74 -26.31 13.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 71.22 111.116 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mt -62.33 -37.34 85.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 72.02 110.898 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 3.5 t80 -61.72 -48.83 78.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 74.22 110.849 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -75.41 -27.07 58.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 75.55 110.926 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -65.86 -42.39 90.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 73.14 110.859 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.7 mm -68.37 -24.15 29.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 75.32 111.067 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -77.26 75.1 3.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 73.33 110.877 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.2 t -62.13 -18.92 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 74.11 111.04 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -82.86 -0.47 48.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.462 . . . . 74.41 110.894 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.12 46.48 50.86 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.721 -0.752 . . . . 72.21 112.457 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.2 p30 -105.93 -15.58 14.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 75.23 110.875 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.86 12.72 65.23 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.669 -0.777 . . . . 71.44 112.501 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -134.94 139.92 45.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.846 0.355 . . . . 71.41 111.079 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.0 m -123.57 119.98 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 74.14 111.123 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.498 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -84.75 177.77 7.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 73.12 110.83 -179.825 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -47.04 -45.06 21.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 63.44 110.889 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.89 -48.35 81.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 70.51 110.897 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -55.49 -42.09 73.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 65.54 110.857 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.8 t -61.3 -54.81 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 74.51 111.114 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -36.27 64.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 74.24 110.912 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.53 -41.94 83.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 61.0 111.093 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -51.7 -52.12 50.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 64.21 110.888 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.18 -29.4 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 72.33 111.126 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -63.7 -23.27 67.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 73.14 110.899 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -73.4 -6.61 47.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 73.23 110.934 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -109.71 -23.05 11.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 74.4 110.9 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -175.48 -173.5 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 75.13 110.899 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.89 94.93 4.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 54.43 111.082 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pt -133.6 102.16 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 71.54 111.141 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 104.97 14.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 74.25 110.955 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -123.66 101.25 7.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 71.51 110.897 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.89 -43.31 55.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 75.14 110.874 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -50.04 32.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 65.01 110.917 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 tp -59.22 -43.43 92.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 74.35 110.935 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -59.27 -45.17 91.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 73.54 110.895 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -51.89 66.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 73.32 110.948 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.65 -52.53 63.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 70.11 110.943 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.21 -31.65 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 74.4 111.151 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -66.39 -37.83 86.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 73.53 110.944 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -73.54 -41.38 63.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 72.42 110.873 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.83 -42.25 64.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 73.23 110.84 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.2 tt -65.78 -30.73 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 75.41 111.088 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.466 ' CG ' ' HA2' ' A' ' 49' ' ' GLY . 8.8 t0 -92.85 122.03 34.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 73.43 110.903 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.6 -44.1 97.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 55.14 111.113 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.7 p30 -108.36 -16.72 14.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 74.21 110.857 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.466 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.48 32.99 69.75 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.74 -0.743 . . . . 74.31 112.538 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.452 ' C ' ' H ' ' A' ' 52' ' ' GLU . 39.2 p-10 -86.66 80.5 8.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.947 0.403 . . . . 74.34 110.929 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.13 -45.3 0.44 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.733 -0.746 . . . . 53.12 112.462 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.498 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -152.59 166.33 32.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 72.54 110.891 -179.836 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -97.09 129.91 46.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 74.44 111.219 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -81.98 159.42 23.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.839 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -53.08 -45.54 68.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 75.14 110.925 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -59.07 -49.28 78.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 75.24 110.852 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -58.69 -42.86 89.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 75.43 110.877 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -62.09 -43.07 99.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.916 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.51 -51.33 69.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 75.13 111.131 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -62.61 -27.64 69.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 75.1 110.921 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 8.6 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 61.32 110.875 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.846 0.355 . . . . 72.51 110.933 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.1 -25.65 13.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 50.23 111.053 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mt -62.5 -38.78 91.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 63.53 110.919 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -62.68 -47.7 82.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.856 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -73.95 -26.84 60.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 74.43 110.892 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -67.09 -43.18 83.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.421 . . . . 74.13 110.877 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.3 mm -68.38 -23.38 28.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 71.44 111.109 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -78.52 75.63 5.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 61.34 110.868 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.56 -19.69 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 72.44 111.114 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -83.02 -1.07 51.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 73.31 110.868 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 49.38 43.63 35.06 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.81 -0.71 . . . . 62.44 112.445 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.4 p30 -100.62 -16.77 17.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.351 . . . . 74.2 110.908 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.22 17.32 72.01 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.725 -0.75 . . . . 63.53 112.476 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -133.76 139.31 46.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 75.24 111.126 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.8 t -124.53 112.65 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 75.11 111.061 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.459 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -85.96 175.9 8.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.084 -0.507 . . . . 70.12 110.889 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -48.66 -45.76 39.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 70.44 110.91 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.93 -48.35 82.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 74.31 110.921 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -56.63 -38.58 72.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 75.22 110.887 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.53 -54.9 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 74.32 111.076 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.18 -35.74 67.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 75.11 110.886 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.75 -43.31 76.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 71.1 111.093 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -51.61 -52.32 48.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.904 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.69 -29.34 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 74.51 111.075 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.1 -23.28 66.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 71.53 110.85 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -73.35 -6.58 47.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 75.44 110.846 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -108.86 -25.3 10.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 73.14 110.909 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -176.11 -173.16 0.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 74.25 110.889 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.75 95.13 5.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 74.24 111.12 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pt -133.2 102.07 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 74.43 111.115 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.17 105.22 13.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 73.52 110.919 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -122.89 101.69 7.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 74.44 110.86 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -74.69 -42.39 58.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 73.3 110.83 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -71.9 -48.9 42.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.899 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 tp -61.24 -38.16 85.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 73.34 110.975 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.72 -48.77 77.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 73.24 110.889 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -51.68 66.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 74.1 110.96 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -52.22 65.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 74.03 110.939 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.1 mm -61.87 -32.36 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.32 111.148 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -60.62 -50.09 74.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 74.44 110.842 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -71.79 -32.86 68.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 71.54 110.904 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 m -68.39 -50.62 51.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 75.22 110.812 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.6 mt -66.15 -34.17 68.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 74.42 111.105 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.435 ' CG ' ' HA2' ' A' ' 49' ' ' GLY . 8.2 t0 -84.46 120.76 26.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 72.3 110.891 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.05 -40.74 95.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 73.43 111.103 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.4 p30 -108.56 -16.14 14.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 71.41 110.884 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.435 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.5 33.11 70.29 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 65.14 112.493 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.455 ' C ' ' H ' ' A' ' 52' ' ' GLU . 37.6 p-10 -85.65 79.72 9.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.879 0.371 . . . . 74.35 110.895 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.63 -45.41 0.38 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 65.42 112.488 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.459 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -152.04 165.49 34.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 73.32 110.929 -179.85 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.401 ' CG2' ' HA ' ' A' ' 46' ' ' ASP . 1.3 mp -94.15 124.55 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 71.32 111.111 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -76.81 159.41 30.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 72.33 110.823 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -53.85 -45.07 70.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 74.44 110.98 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -58.19 -50.4 73.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 70.31 110.884 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -59.38 -43.88 92.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 72.22 110.902 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -63.84 -41.69 97.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 73.31 110.886 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.8 -51.86 67.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 73.14 111.064 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -66.02 -25.15 66.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 75.33 110.922 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.867 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.865 0.364 . . . . 72.23 110.958 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.48 -25.24 15.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 75.03 111.134 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mt -63.12 -37.7 88.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.42 110.942 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -62.78 -48.18 80.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 72.43 110.889 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -74.8 -27.01 60.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 73.44 110.894 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.44 -45.15 80.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.869 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.62 -28.49 40.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 73.01 111.104 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -73.6 75.61 1.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 75.13 110.85 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 t -61.52 -17.5 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 72.54 111.114 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -82.61 -1.42 50.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.907 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.72 42.1 27.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 72.31 112.434 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 p30 -98.98 -17.0 18.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.835 0.35 . . . . 75.54 110.84 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.01 17.82 68.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 70.01 112.416 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.402 ' HB2' ' HG2' ' A' ' 52' ' ' GLU . . . -135.32 140.55 45.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 73.34 111.082 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.1 t -124.15 111.63 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 73.45 111.116 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.467 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -86.45 176.52 7.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 75.31 110.82 -179.872 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -47.85 -45.59 30.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.05 -0.523 . . . . 71.44 110.96 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.67 -48.35 81.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 73.44 110.937 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -56.31 -40.29 74.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 70.52 110.883 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.6 t -62.29 -55.2 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 71.23 111.117 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -35.83 65.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.874 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.49 -42.36 78.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 71.35 111.087 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -51.51 -51.83 51.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 63.1 110.926 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.84 -29.32 40.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 70.4 111.167 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.01 -23.94 64.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 62.43 110.844 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -8.09 54.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 73.42 110.886 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -106.4 -26.65 11.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 73.53 110.881 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -176.25 -173.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 75.15 110.825 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.7 94.88 4.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 65.13 111.121 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.1 mm -133.06 102.32 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 71.22 111.175 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.99 105.17 12.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.891 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -123.5 101.61 7.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.808 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.61 -42.61 58.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 64.21 110.865 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -49.32 35.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 71.52 110.889 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tp -60.59 -39.14 86.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 72.13 110.917 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.86 -46.84 86.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 74.53 110.893 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.21 -51.98 64.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 75.43 110.916 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.45 -52.03 66.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 74.01 110.911 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.5 mm -60.93 -33.28 54.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 74.34 111.115 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -60.32 -50.31 74.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 72.22 110.858 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -71.9 -29.39 64.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 73.5 110.919 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.44 -51.1 31.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 75.25 110.838 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.7 mt -66.52 -37.87 80.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.02 111.112 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.43 ' CG ' ' HA2' ' A' ' 49' ' ' GLY . 8.6 t0 -77.8 121.51 24.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 75.41 110.886 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.42 -42.2 98.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 74.41 111.009 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.5 p30 -108.35 -16.52 14.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.419 . . . . 72.24 110.826 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.43 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.63 32.87 70.16 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 74.22 112.498 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.454 ' C ' ' H ' ' A' ' 52' ' ' GLU . 36.3 p-10 -85.52 79.63 9.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 72.05 110.894 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.86 -45.38 0.41 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.667 -0.777 . . . . 74.23 112.415 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.467 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -152.57 165.54 34.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 74.31 110.941 -179.866 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.1 mp -95.47 124.74 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 74.14 111.153 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.22 159.0 31.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 65.11 110.861 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -53.75 -45.7 70.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 75.23 110.945 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -58.62 -49.03 78.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 72.15 110.838 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -58.41 -40.64 83.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 72.12 110.894 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -64.94 -42.12 94.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 63.13 110.875 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.62 -52.12 65.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 75.31 111.103 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -66.56 -24.61 66.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 72.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.8 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 74.24 110.89 179.944 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.815 0.34 . . . . 65.44 110.841 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.67 -25.12 16.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 73.14 111.107 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.81 -39.22 93.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.928 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -63.46 -47.11 83.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 73.54 110.873 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.35 -26.8 61.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 75.24 110.955 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.9 -42.29 77.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 74.54 110.862 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.0 mm -68.0 -23.51 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.492 . . . . 73.35 111.128 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -73.69 75.36 1.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 75.1 110.828 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.6 t -61.3 -17.5 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 72.32 111.191 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.24 -1.05 57.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 72.43 110.977 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.48 47.26 44.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 60.2 112.449 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -105.53 -15.65 14.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.861 0.363 . . . . 64.53 110.877 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.44 16.46 67.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 71.23 112.46 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.4 ' HB1' ' HG2' ' A' ' 52' ' ' GLU . . . -134.34 136.89 43.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.809 0.338 . . . . 63.21 111.111 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.6 t -124.73 112.17 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 74.04 111.087 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.468 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -83.46 175.78 9.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 62.42 110.832 -179.818 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -49.1 -46.21 44.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 75.1 110.915 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.2 -49.5 77.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.072 -0.513 . . . . 74.35 110.892 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.61 -38.04 71.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 73.13 110.91 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.8 -54.88 26.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 72.52 111.148 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -37.76 66.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 75.14 110.852 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.04 -41.5 81.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 74.33 111.148 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -52.07 -51.83 55.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 75.41 110.887 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.02 -29.51 40.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 74.42 111.096 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -22.8 67.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 62.21 110.837 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -72.61 -7.72 51.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 74.44 110.849 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -108.18 -21.89 12.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 74.31 110.913 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -175.99 -173.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 74.31 110.809 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.93 94.83 4.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 73.31 111.127 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pt -133.45 102.14 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 75.25 111.096 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.1 104.59 13.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 75.32 110.884 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -123.69 101.56 7.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 74.34 110.93 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -42.1 59.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 72.52 110.953 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -49.42 41.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 74.44 110.852 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.6 mt -61.49 -37.56 84.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 72.54 110.922 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.27 -47.72 83.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 74.41 110.921 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.5 -51.82 63.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 64.44 110.964 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.98 -51.91 67.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 75.43 110.891 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.9 mt -61.77 -32.71 54.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 71.01 111.152 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -59.99 -51.4 69.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 74.53 110.85 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -30.88 65.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 72.55 110.886 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -68.79 -49.72 56.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 71.2 110.881 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 58.2 mt -65.84 -33.94 66.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 74.25 111.102 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.446 ' CG ' ' HA2' ' A' ' 49' ' ' GLY . 7.8 t0 -83.32 120.74 26.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 63.14 110.896 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.31 -40.85 94.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 63.32 111.061 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.3 p-10 -108.71 -15.84 14.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 74.24 110.819 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.446 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 59.22 33.12 73.79 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.718 -0.753 . . . . 75.22 112.482 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.441 ' C ' ' H ' ' A' ' 52' ' ' GLU . 36.8 p-10 -85.12 79.73 9.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.906 0.384 . . . . 71.45 110.941 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.63 -45.69 0.39 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 74.53 112.499 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.468 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -152.23 164.79 36.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.36 . . . . 74.54 110.889 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.4 mp -91.68 118.81 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 74.35 111.141 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -76.28 159.08 30.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 71.51 110.876 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -52.95 -45.66 67.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 54.1 110.898 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -58.41 -50.07 74.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 73.51 110.912 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -61.4 -42.47 98.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.874 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -64.16 -43.56 94.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 74.51 110.875 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.9 -51.86 67.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 72.41 111.134 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -66.01 -24.92 66.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 74.35 110.931 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.2 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 74.51 110.891 179.934 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.759 0.314 . . . . 72.44 110.839 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.15 -169.71 0.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 62.33 111.118 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -89.46 -19.53 25.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 73.24 110.901 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.64 -26.32 13.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 62.23 111.122 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mt -62.17 -37.82 86.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 64.43 110.896 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -61.67 -49.18 77.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 73.21 110.918 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.59 -27.0 60.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.101 -0.5 . . . . 73.22 110.842 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -65.55 -43.4 90.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 62.51 110.9 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.3 mm -68.56 -22.63 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 73.42 111.135 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.8 78.23 9.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 75.02 110.874 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.14 -16.93 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 75.34 111.119 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -83.78 -1.51 54.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 73.21 110.904 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 49.0 43.76 31.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.725 -0.75 . . . . 71.44 112.514 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.2 p30 -100.32 -15.73 17.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 63.5 110.867 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.88 10.34 77.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.679 -0.772 . . . . 74.21 112.498 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -134.65 137.75 43.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.905 0.383 . . . . 72.21 111.09 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.3 m -123.98 117.74 51.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.441 . . . . 72.11 111.115 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.498 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -83.73 177.57 8.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 60.12 110.907 -179.872 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -47.35 -44.8 24.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.35 110.898 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -58.48 -47.05 85.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 75.44 110.816 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -56.6 -42.57 78.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 75.05 110.886 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.4 t -61.39 -54.7 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 73.32 111.131 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -35.14 65.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 73.04 110.937 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.07 -42.89 79.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 74.45 111.106 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -51.62 -52.65 45.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 72.05 110.828 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -29.6 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 75.31 111.128 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.23 -23.57 67.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 75.43 110.905 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -73.67 -6.92 49.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 75.42 110.933 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -108.32 -24.24 11.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.856 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -175.59 -173.8 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 73.22 110.822 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.78 95.19 5.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 71.03 111.058 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.4 mt -132.83 102.46 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 65.13 111.107 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.78 105.06 12.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 73.51 110.893 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -123.28 101.9 7.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 74.45 110.885 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -42.43 59.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 72.02 110.887 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -49.12 37.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 72.11 110.88 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tp -60.99 -38.86 87.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.31 110.891 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.69 -47.94 81.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 71.4 110.916 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -51.4 64.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 75.04 110.902 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.7 -51.7 68.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 74.03 110.96 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.4 mm -62.39 -32.98 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 74.23 111.166 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -59.42 -52.41 65.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 73.54 110.853 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.0 -31.56 66.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 75.1 110.902 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 m -67.23 -50.95 58.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 75.14 110.787 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.7 mt -67.23 -28.55 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 70.31 111.085 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.459 ' CG ' ' HA2' ' A' ' 49' ' ' GLY . 7.9 t0 -87.23 121.5 29.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 62.53 110.875 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.09 -42.08 97.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 65.44 111.034 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.0 p30 -108.89 -16.26 14.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.243 -0.435 . . . . 74.52 110.865 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.459 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.6 33.03 70.39 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.727 -0.749 . . . . 75.34 112.481 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.451 ' C ' ' H ' ' A' ' 52' ' ' GLU . 37.2 p-10 -84.94 80.12 9.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 65.54 110.88 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.83 -45.35 0.4 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.802 -0.713 . . . . 71.32 112.534 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.603 ' O ' 'CA ' ' A' ' 102' ' ' ' CA' . 0.0 OUTLIER -152.22 165.36 35.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 71.41 110.898 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.2 mp -94.15 124.81 46.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 73.3 111.141 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.91 159.83 29.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 65.05 110.893 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -55.79 -46.42 78.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 73.13 110.971 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.46 -48.38 80.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 74.33 110.928 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -58.22 -42.25 85.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.499 . . . . 75.31 110.861 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -63.34 -43.73 96.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 74.33 110.879 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.18 -51.61 68.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 73.4 111.067 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -24.92 66.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 75.04 110.946 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -81.27 -31.65 33.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.86 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -57.08 118.27 4.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 74.31 110.859 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.2 3.3 88.95 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 62.25 112.492 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.7 t 50.79 54.58 10.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 72.03 110.836 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 tt -95.53 16.64 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 73.54 111.191 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 74.2 110.901 179.947 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . 0.603 'CA ' ' O ' ' A' ' 52' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.7 mtt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.794 0.331 . . . . 73.12 110.893 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.7 115.39 20.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 71.21 111.046 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 64.63 14.64 9.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 75.12 110.907 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.26 -27.55 69.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 62.42 111.113 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mt -63.41 -35.88 81.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 73.04 110.936 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 4.1 t80 -62.55 -49.48 75.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 74.4 110.89 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -75.63 -26.89 58.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 70.24 110.898 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -65.82 -43.23 89.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 71.24 110.895 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.0 mm -68.36 -23.89 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 74.33 111.169 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.87 75.17 4.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 72.53 110.855 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.2 t -61.51 -18.44 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 75.23 111.105 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -82.85 -0.82 49.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 73.33 110.88 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.68 45.25 48.11 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.803 -0.713 . . . . 73.4 112.434 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.5 p30 -104.11 -15.81 15.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 74.45 110.878 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.65 12.85 64.93 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.778 -0.725 . . . . 71.35 112.563 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -134.73 138.93 44.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 72.3 111.164 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.7 m -123.9 118.81 55.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 74.32 111.187 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.493 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -84.27 178.06 7.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 75.22 110.857 -179.768 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -47.04 -45.62 21.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 74.01 110.858 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -58.4 -47.56 83.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 70.4 110.916 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -56.18 -41.64 75.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 75.5 110.892 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.22 -54.89 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 73.35 111.127 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -37.41 65.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 73.53 110.843 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.19 -40.95 86.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 73.13 111.076 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -51.82 -51.88 53.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 73.5 110.811 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.87 -29.52 40.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.148 -0.478 . . . . 71.2 111.175 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.49 -23.28 67.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 71.54 110.896 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.97 -7.26 50.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 73.21 110.857 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -107.66 -38.56 5.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 73.23 110.923 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.59 -173.44 3.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 73.13 110.863 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.91 95.22 5.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 72.11 111.097 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tp -133.41 102.38 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 75.04 111.17 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.93 104.98 11.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 75.51 110.918 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -123.83 101.78 7.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 74.12 110.907 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -74.62 -42.36 58.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 72.21 110.942 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -48.79 42.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 74.52 110.84 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tp -61.9 -37.54 84.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.26 -0.427 . . . . 75.34 110.887 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -62.58 -48.2 80.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 71.43 110.943 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.5 -51.36 65.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 74.03 110.897 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.96 -52.01 66.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 63.33 110.887 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.7 mm -61.96 -32.97 55.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.177 -0.465 . . . . 73.13 111.105 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -59.46 -52.76 64.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 74.41 110.862 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.04 -31.79 66.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 74.12 110.915 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m -66.96 -51.22 57.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 72.33 110.903 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 53.0 mt -66.56 -26.26 37.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 73.22 111.131 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.472 ' CG ' ' HA2' ' A' ' 49' ' ' GLY . 8.1 t0 -88.49 121.84 31.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 72.33 110.867 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.12 -43.33 98.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 63.31 111.063 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.7 p30 -108.64 -15.95 14.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 72.14 110.845 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.472 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.79 33.3 72.51 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.697 -0.763 . . . . 73.45 112.468 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.445 ' C ' ' H ' ' A' ' 52' ' ' GLU . 38.0 p-10 -85.42 80.22 9.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 73.44 110.886 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.91 -45.65 0.42 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.811 -0.709 . . . . 63.32 112.474 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.609 ' O ' 'CA ' ' A' ' 102' ' ' ' CA' . 0.0 OUTLIER -152.49 165.94 33.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 64.25 110.898 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.2 mp -95.46 127.46 47.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 75.11 111.102 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -79.84 159.78 26.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 74.43 110.888 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -54.8 -44.81 74.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 75.22 110.95 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.79 -46.41 90.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 73.21 110.89 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -60.46 -41.39 94.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.848 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -64.16 -45.4 88.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 75.43 110.918 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.66 -51.68 68.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 72.44 111.08 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -65.3 -25.16 67.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 73.34 110.905 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -80.42 -33.03 37.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 74.53 110.88 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -60.78 118.22 6.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.142 -0.481 . . . . 71.41 110.93 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.84 3.64 90.46 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.783 -0.723 . . . . 75.4 112.51 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.3 t -93.99 27.27 2.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 60.31 110.873 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.1 mt -92.51 16.57 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.051 -0.522 . . . . 70.11 111.096 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 75.35 110.923 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . 0.609 'CA ' ' O ' ' A' ' 52' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 mtp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.743 0.306 . . . . 74.12 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.77 -68.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 75.35 111.167 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.41 -22.13 22.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 75.04 110.952 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.48 -26.49 13.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 73.15 111.023 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mt -61.85 -38.04 86.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.912 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -61.23 -48.86 79.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 72.04 110.868 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -26.82 59.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 74.02 110.899 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -65.82 -42.0 91.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 73.13 110.853 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.8 mm -68.29 -22.83 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 71.41 111.154 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.51 77.2 8.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.34 110.894 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.9 t -64.08 -15.33 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 75.11 111.136 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -82.75 -0.81 49.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 75.21 110.939 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.43 46.68 45.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.64 -0.791 . . . . 51.42 112.506 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.5 p30 -107.86 -15.99 14.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 71.53 110.85 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.24 11.41 75.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 53.21 112.487 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -134.88 137.45 43.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 73.15 111.069 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.0 m -123.95 118.45 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 74.45 111.068 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.512 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -82.57 177.39 8.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 71.32 110.876 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -47.75 -45.64 29.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 73.41 110.935 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -46.57 83.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 65.54 110.913 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -57.09 -41.71 79.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 75.41 110.914 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 65.6 t -61.79 -54.7 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 71.34 111.136 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -35.24 66.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.906 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.38 -42.56 78.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 73.44 111.091 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -51.84 -52.51 48.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 71.14 110.869 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.36 -29.59 42.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.102 -0.499 . . . . 74.14 111.16 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -64.05 -23.55 67.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 75.24 110.881 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -73.53 -7.17 50.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 74.11 110.9 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -108.34 -23.08 12.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 75.4 110.883 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -175.55 -174.01 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 72.0 110.849 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.74 95.14 5.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 75.22 111.132 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pt -132.9 102.22 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 75.22 111.085 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.49 104.85 13.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 74.42 110.937 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -123.42 102.01 7.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 70.3 110.895 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.26 -42.52 59.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.115 -0.493 . . . . 74.12 110.878 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -72.19 -48.8 40.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 73.32 110.965 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.13 -38.91 88.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.939 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.75 -48.0 81.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 72.52 110.927 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -51.44 64.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 74.34 110.894 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.72 -51.85 67.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 72.31 110.867 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.4 mm -62.11 -33.17 57.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 73.31 111.217 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -59.17 -52.05 67.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 74.42 110.952 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.21 -31.33 65.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 75.01 110.908 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.0 m -67.38 -50.68 58.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 72.32 110.858 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 59.1 mt -66.44 -34.79 72.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 65.4 111.153 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.461 ' CG ' ' HA2' ' A' ' 49' ' ' GLY . 7.3 t0 -81.19 120.6 25.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 74.32 110.84 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.92 -40.78 95.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 71.43 111.159 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.3 p30 -109.01 -16.49 14.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 75.32 110.853 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.461 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.38 33.04 69.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 75.21 112.462 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.442 ' C ' ' H ' ' A' ' 52' ' ' GLU . 37.6 p-10 -84.91 80.35 9.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 75.44 110.941 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.9 -45.61 0.42 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.827 -0.702 . . . . 51.43 112.44 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.603 ' O ' 'CA ' ' A' ' 102' ' ' ' CA' . 0.0 OUTLIER -152.07 164.79 36.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 74.32 110.868 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.3 mp -92.29 120.25 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 73.12 111.169 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.05 159.68 28.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.883 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -53.89 -46.26 71.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 74.31 110.908 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.29 -50.16 74.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.43 110.922 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -60.11 -41.86 93.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 70.13 110.901 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -62.59 -44.71 95.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.879 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.47 -51.61 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 73.3 111.179 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -25.12 67.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 70.14 110.902 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -79.15 -34.12 43.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 74.11 110.902 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -61.21 118.19 6.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 74.51 110.911 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.05 3.59 90.52 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.725 -0.75 . . . . 75.22 112.544 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.1 t -93.8 24.76 3.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 65.33 110.838 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.8 mp -92.48 16.52 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 74.23 111.152 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 74.24 110.864 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . 0.603 'CA ' ' O ' ' A' ' 52' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.8 mtm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.778 0.323 . . . . 72.35 110.903 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.17 -70.67 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 74.43 111.087 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.0 pm0 -111.62 -22.03 11.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 75.2 110.833 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.25 -26.59 12.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 65.32 111.083 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 mt -61.61 -39.59 91.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 72.3 110.859 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -61.55 -47.22 86.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 74.32 110.919 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -74.15 -26.9 60.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 73.21 110.889 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -66.97 -41.67 86.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 73.1 110.872 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.9 mm -68.35 -23.62 28.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 75.53 111.1 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.764 ' OD1' 'CA ' ' A' ' 101' ' ' ' CA' . 2.8 m-20 -78.42 77.2 4.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 61.24 110.893 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.08 -20.65 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 71.24 111.094 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -82.97 -0.98 51.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 64.2 110.874 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.03 45.89 41.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 72.12 112.53 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.9 p30 -104.01 -16.58 15.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 72.41 110.904 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.85 19.82 71.86 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.741 -0.742 . . . . 65.21 112.504 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -133.68 135.73 44.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.335 . . . . 74.25 111.143 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.0 t -124.11 113.14 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 63.21 111.139 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.48 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -84.86 175.78 8.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 72.12 110.891 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -49.35 -45.86 46.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 75.4 110.867 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.87 -48.29 82.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 73.24 110.939 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.52 -36.77 72.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 73.43 110.859 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.9 t -65.19 -54.92 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 75.22 111.161 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -37.49 68.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 74.35 110.846 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.9 -42.25 77.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 64.53 111.158 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -51.91 -51.67 55.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 63.32 110.85 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.51 -29.5 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 72.14 111.15 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.99 -23.8 63.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.862 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -72.91 -8.29 54.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 74.13 110.879 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -106.5 -24.81 12.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 75.25 110.903 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -175.87 -173.69 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 74.52 110.895 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.78 95.07 5.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 74.54 111.144 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pt -133.31 102.02 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.21 111.135 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.95 104.52 14.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.946 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -123.55 101.42 7.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 64.25 110.87 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.77 -42.71 57.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.856 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.32 -49.22 36.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 75.31 110.929 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 tp -60.83 -38.81 86.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 73.15 110.878 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -63.07 -47.33 83.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 74.12 110.955 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -51.78 65.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 70.42 110.945 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.34 -52.02 66.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.975 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.9 mm -61.07 -34.14 58.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 75.12 111.077 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -59.27 -51.3 70.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 75.15 110.925 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.16 -29.41 63.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 75.44 110.872 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.39 -51.03 40.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 74.52 110.887 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.9 mt -66.8 -40.62 86.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 74.13 111.139 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.464 ' CG ' ' HA2' ' A' ' 49' ' ' GLY . 7.9 t0 -73.98 121.12 20.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 63.41 110.854 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.41 97.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 61.41 111.131 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.6 p30 -108.35 -16.23 14.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 61.21 110.911 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.464 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.52 33.01 69.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.811 -0.709 . . . . 71.11 112.501 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.452 ' C ' ' H ' ' A' ' 52' ' ' GLU . 38.2 p-10 -85.15 79.99 9.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 71.23 110.936 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.91 -45.31 0.41 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.739 . . . . 73.03 112.509 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.621 ' O ' 'CA ' ' A' ' 102' ' ' ' CA' . 0.0 OUTLIER -152.67 165.49 35.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 72.13 110.847 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.2 mp -94.51 123.7 46.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.499 . . . . 74.41 111.093 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.57 159.02 30.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 73.43 110.79 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -53.25 -44.13 67.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 71.32 110.94 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -58.3 -50.07 74.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 74.24 110.878 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -60.49 -43.76 96.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 75.44 110.899 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -64.19 -40.8 96.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 75.42 110.867 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.82 -51.94 67.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 75.42 111.156 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -65.78 -24.91 67.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 72.34 110.971 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -80.57 -35.59 34.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 74.14 110.877 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -61.81 118.6 7.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 73.13 110.951 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.2 3.53 90.16 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.721 -0.752 . . . . 54.11 112.483 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.5 t -93.94 25.83 3.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 71.21 110.873 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.1 tt -92.3 16.52 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.09 -0.505 . . . . 75.24 111.153 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 64.14 110.948 179.915 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . 0.764 'CA ' ' OD1' ' A' ' 10' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . 0.621 'CA ' ' O ' ' A' ' 52' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.735 0.303 . . . . 74.35 110.832 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.63 -71.47 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 75.14 111.125 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.18 -21.76 14.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 72.14 110.908 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.0 -27.33 13.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 72.4 111.105 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 mt -60.64 -39.78 89.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 73.34 110.932 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 3.3 t80 -62.39 -48.03 81.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.897 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.2 -26.85 62.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 73.31 110.89 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -68.26 -42.11 80.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 63.41 110.831 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.8 mm -68.39 -24.09 29.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 74.34 111.153 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -76.03 75.37 2.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 75.32 110.893 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.3 -21.84 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 73.34 111.105 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -83.0 -0.97 51.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 72.43 110.89 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.22 46.24 43.5 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 63.31 112.552 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.7 p30 -104.9 -16.81 14.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 72.43 110.838 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.5 19.34 72.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.745 -0.741 . . . . 64.0 112.526 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.401 ' HB1' ' HG2' ' A' ' 52' ' ' GLU . . . -133.98 135.37 43.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.775 0.321 . . . . 73.0 111.124 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.5 t -124.31 113.2 35.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 71.3 111.131 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.474 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -84.49 175.8 9.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 45.5 110.886 -179.844 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -49.4 -46.03 46.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.118 -0.492 . . . . 75.23 110.887 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.67 -48.58 81.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.888 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -57.36 -36.4 71.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 75.33 110.884 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.44 -55.06 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 72.52 111.159 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -38.03 67.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 73.43 110.909 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.58 -41.8 79.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 72.23 111.115 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -51.82 -51.72 54.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 73.24 110.866 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.68 -29.47 41.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 73.11 111.119 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.17 -23.55 64.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 73.2 110.871 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -8.44 55.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 75.31 110.871 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -106.02 -24.89 12.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.445 . . . . 71.13 110.828 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -176.24 -173.91 0.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 73.11 110.815 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.74 95.02 5.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 75.14 111.128 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.9 mt -133.15 102.23 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 61.24 111.119 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.79 104.96 13.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 74.45 110.888 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -123.37 101.49 7.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 75.14 110.893 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -42.64 58.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 73.15 110.924 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -49.05 38.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 74.31 110.901 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tp -60.95 -38.35 85.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 60.33 110.962 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -62.82 -47.56 82.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 74.32 110.976 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -51.68 65.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 73.12 110.938 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.56 -51.94 66.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 74.15 110.912 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.3 mm -61.29 -32.38 52.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 71.43 111.194 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -60.97 -51.4 69.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 73.41 110.872 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -30.16 64.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 74.01 110.901 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.9 m -70.05 -50.35 42.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 74.22 110.845 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.7 mt -66.08 -32.66 59.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 73.15 111.115 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.456 ' CG ' ' HA2' ' A' ' 49' ' ' GLY . 7.9 t0 -83.65 120.73 26.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 74.23 110.879 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.69 -41.62 95.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 72.42 111.136 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.8 p30 -108.3 -15.93 14.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 73.2 110.871 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.456 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 59.13 33.11 73.24 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.692 -0.766 . . . . 73.22 112.531 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.449 ' C ' ' H ' ' A' ' 52' ' ' GLU . 38.7 p-10 -86.02 79.86 9.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 72.43 110.86 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.77 -45.51 0.4 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 60.15 112.458 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.609 ' O ' 'CA ' ' A' ' 102' ' ' ' CA' . 0.0 OUTLIER -152.5 165.55 34.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.815 0.341 . . . . 75.33 110.849 -179.796 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.3 mp -93.37 123.86 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 74.33 111.126 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -76.69 159.4 30.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 74.11 110.856 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -53.81 -44.98 70.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 74.35 110.976 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -49.97 75.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 71.13 110.854 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -59.76 -43.38 94.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 73.12 110.869 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -63.96 -41.73 97.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 72.43 110.908 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.28 -51.77 68.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 70.33 111.116 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -66.33 -24.82 66.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.914 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -80.47 -33.8 36.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 72.44 110.89 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -64.57 118.63 9.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 71.23 110.964 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.9 3.49 89.23 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.78 -0.724 . . . . 74.31 112.486 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.2 t -93.71 25.03 3.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.737 0.304 . . . . 74.12 110.781 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.1 mt -92.55 16.53 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 72.52 111.162 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 60.3 110.952 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . 0.609 'CA ' ' O ' ' A' ' 52' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.776 0.322 . . . . 74.23 110.819 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.86 -68.72 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 64.44 111.064 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -91.23 -23.42 20.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.905 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.11 -26.96 12.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 74.05 111.113 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mt -61.42 -37.83 84.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.442 . . . . 71.41 110.973 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -60.61 -49.18 78.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 75.34 110.893 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -26.71 58.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 72.33 110.943 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -65.56 -41.12 93.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 75.21 110.869 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.6 mm -68.3 -23.82 28.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 71.44 111.13 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.796 ' OD1' 'CA ' ' A' ' 101' ' ' ' CA' . 4.6 m-20 -79.43 75.09 6.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 74.41 110.942 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.1 t -61.42 -19.27 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 74.33 111.067 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -82.91 -0.55 48.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 62.1 110.921 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.53 46.37 53.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 73.51 112.537 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -102.76 -15.69 16.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.849 0.357 . . . . 62.12 110.825 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.45 8.92 67.65 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.751 -0.738 . . . . 52.31 112.502 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -134.28 139.44 45.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 63.43 111.09 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.5 m -124.05 117.12 49.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 71.25 111.14 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.508 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -82.75 177.47 8.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 65.1 110.825 -179.847 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -47.47 -45.4 26.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 72.44 110.971 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.52 -46.58 83.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 73.55 110.971 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -56.75 -41.57 77.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 72.42 110.943 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.2 t -61.67 -55.05 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 74.32 111.056 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -34.67 66.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 75.43 110.875 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.34 -43.12 78.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 75.33 111.05 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -51.48 -52.57 45.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.53 110.848 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.54 -29.45 41.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 73.1 111.123 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.48 -23.43 67.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 72.23 110.819 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -73.46 -7.36 51.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 72.24 110.867 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -108.56 -22.39 12.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 70.54 110.944 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -176.22 -173.81 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 75.32 110.905 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.52 95.08 5.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 71.41 111.162 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -133.17 102.3 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 75.44 111.102 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.78 105.17 13.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 75.22 110.917 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -123.1 101.7 7.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.902 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -41.48 60.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 73.21 110.894 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -50.98 24.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 75.1 110.882 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.7 tp -60.07 -38.9 84.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.294 -0.412 . . . . 74.5 110.889 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -62.05 -47.94 82.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 74.32 110.968 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -51.72 64.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 74.44 110.86 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.83 -51.86 67.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 73.22 110.926 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.3 mm -61.76 -33.26 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 75.0 111.153 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -59.33 -52.14 66.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 73.41 110.868 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -72.27 -31.03 65.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.479 . . . . 74.53 110.877 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.3 m -67.74 -50.99 54.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 73.54 110.855 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 57.4 mt -66.52 -32.78 59.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 74.45 111.169 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.462 ' CG ' ' HA2' ' A' ' 49' ' ' GLY . 7.5 t0 -83.21 121.06 26.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 74.22 110.888 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.34 -41.49 96.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 71.54 111.057 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.8 p-10 -109.11 -16.37 14.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.302 -0.408 . . . . 72.51 110.857 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.462 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.82 32.92 71.06 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.73 -0.748 . . . . 64.44 112.544 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.444 ' C ' ' H ' ' A' ' 52' ' ' GLU . 35.8 p-10 -84.25 80.06 9.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.809 0.338 . . . . 70.12 110.856 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.76 -45.67 0.4 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.75 -0.738 . . . . 64.34 112.523 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.508 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -151.83 165.15 35.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.322 . . . . 75.23 110.933 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.3 mp -93.51 122.23 44.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 74.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -80.44 159.7 25.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 73.51 110.884 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -53.08 -46.16 68.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.925 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -58.35 -50.2 74.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 73.43 110.917 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -60.29 -41.91 94.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 73.53 110.942 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -62.59 -43.92 97.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 72.43 110.913 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.23 -51.58 68.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 75.1 111.089 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -63.99 -25.14 68.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 72.31 110.928 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -79.05 -35.32 42.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 74.45 110.929 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -59.45 118.29 5.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 73.42 110.89 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.65 3.55 90.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 44.33 112.495 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.1 t -93.83 25.59 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 74.44 110.83 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.7 mp -92.45 16.59 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 75.43 111.145 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 74.51 110.873 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . 0.796 'CA ' ' OD1' ' A' ' 10' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.835 0.35 . . . . 72.33 110.84 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.78 25.01 6.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 71.12 111.105 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -114.89 -20.03 10.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.21 110.871 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.74 -26.31 13.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 71.22 111.116 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mt -62.33 -37.34 85.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 72.02 110.898 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 3.5 t80 -61.72 -48.83 78.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 74.22 110.849 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -75.41 -27.07 58.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 75.55 110.926 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -65.86 -42.39 90.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 73.14 110.859 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.7 mm -68.37 -24.15 29.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 75.32 111.067 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.771 ' OD1' 'CA ' ' A' ' 101' ' ' ' CA' . 6.1 m-20 -77.26 75.1 3.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 73.33 110.877 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.2 t -62.13 -18.92 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 74.11 111.04 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -82.86 -0.47 48.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.462 . . . . 74.41 110.894 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.12 46.48 50.86 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.721 -0.752 . . . . 72.21 112.457 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.2 p30 -105.93 -15.58 14.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 75.23 110.875 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.86 12.72 65.23 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.669 -0.777 . . . . 71.44 112.501 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -134.94 139.92 45.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.846 0.355 . . . . 71.41 111.079 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.0 m -123.57 119.98 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 74.14 111.123 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.498 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -84.75 177.77 7.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 73.12 110.83 -179.825 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -47.04 -45.06 21.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 63.44 110.889 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.89 -48.35 81.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 70.51 110.897 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -55.49 -42.09 73.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 65.54 110.857 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.8 t -61.3 -54.81 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 74.51 111.114 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -36.27 64.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 74.24 110.912 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.53 -41.94 83.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 61.0 111.093 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -51.7 -52.12 50.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 64.21 110.888 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.18 -29.4 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 72.33 111.126 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -63.7 -23.27 67.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 73.14 110.899 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -73.4 -6.61 47.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 73.23 110.934 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -109.71 -23.05 11.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 74.4 110.9 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -175.48 -173.5 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 75.13 110.899 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.89 94.93 4.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 54.43 111.082 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pt -133.6 102.16 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 71.54 111.141 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 104.97 14.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 74.25 110.955 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -123.66 101.25 7.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 71.51 110.897 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.89 -43.31 55.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 75.14 110.874 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -50.04 32.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 65.01 110.917 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 tp -59.22 -43.43 92.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 74.35 110.935 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -59.27 -45.17 91.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 73.54 110.895 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -51.89 66.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 73.32 110.948 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.65 -52.53 63.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 70.11 110.943 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.21 -31.65 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 74.4 111.151 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -66.39 -37.83 86.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 73.53 110.944 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -73.54 -41.38 63.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 72.42 110.873 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.83 -42.25 64.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 73.23 110.84 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.2 tt -65.78 -30.73 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 75.41 111.088 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.466 ' CG ' ' HA2' ' A' ' 49' ' ' GLY . 8.8 t0 -92.85 122.03 34.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 73.43 110.903 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.6 -44.1 97.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 55.14 111.113 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.7 p30 -108.36 -16.72 14.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 74.21 110.857 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.466 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.48 32.99 69.75 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.74 -0.743 . . . . 74.31 112.538 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.755 ' OD1' 'CA ' ' A' ' 102' ' ' ' CA' . 39.2 p-10 -86.66 80.5 8.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.947 0.403 . . . . 74.34 110.929 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.13 -45.3 0.44 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.733 -0.746 . . . . 53.12 112.462 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.635 ' O ' 'CA ' ' A' ' 102' ' ' ' CA' . 0.0 OUTLIER -152.59 166.33 32.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 72.54 110.891 -179.836 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -97.09 129.91 46.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 74.44 111.219 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -81.98 159.42 23.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.839 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -53.08 -45.54 68.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 75.14 110.925 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -59.07 -49.28 78.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 75.24 110.852 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -58.69 -42.86 89.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 75.43 110.877 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -62.09 -43.07 99.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.916 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.51 -51.33 69.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 75.13 111.131 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -62.61 -27.64 69.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 75.1 110.921 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -77.79 -35.0 51.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 61.32 110.875 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -63.4 119.27 9.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 74.35 110.924 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.54 3.6 66.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 52.43 112.495 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.8 t -93.98 23.98 4.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.339 . . . . 64.3 110.817 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.1 tt -92.6 16.62 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 75.42 111.15 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 75.23 110.887 179.931 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . 0.771 'CA ' ' OD1' ' A' ' 10' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . 0.755 'CA ' ' OD1' ' A' ' 50' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.2 mmm . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.799 0.333 . . . . 72.51 110.939 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.84 -75.23 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 74.43 111.117 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.35 -21.86 18.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 72.51 110.933 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.1 -25.65 13.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 50.23 111.053 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mt -62.5 -38.78 91.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 63.53 110.919 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -62.68 -47.7 82.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.856 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -73.95 -26.84 60.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 74.43 110.892 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -67.09 -43.18 83.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.421 . . . . 74.13 110.877 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.3 mm -68.38 -23.38 28.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 71.44 111.109 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -78.52 75.63 5.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 61.34 110.868 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.56 -19.69 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 72.44 111.114 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -83.02 -1.07 51.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 73.31 110.868 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 49.38 43.63 35.06 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.81 -0.71 . . . . 62.44 112.445 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.4 p30 -100.62 -16.77 17.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.351 . . . . 74.2 110.908 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.22 17.32 72.01 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.725 -0.75 . . . . 63.53 112.476 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -133.76 139.31 46.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 75.24 111.126 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.8 t -124.53 112.65 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 75.11 111.061 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.459 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -85.96 175.9 8.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.084 -0.507 . . . . 70.12 110.889 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -48.66 -45.76 39.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 70.44 110.91 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.93 -48.35 82.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 74.31 110.921 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -56.63 -38.58 72.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 75.22 110.887 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.53 -54.9 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 74.32 111.076 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.18 -35.74 67.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 75.11 110.886 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.75 -43.31 76.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 71.1 111.093 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -51.61 -52.32 48.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.904 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.69 -29.34 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 74.51 111.075 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.1 -23.28 66.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 71.53 110.85 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -73.35 -6.58 47.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 75.44 110.846 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -108.86 -25.3 10.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 73.14 110.909 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -176.11 -173.16 0.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 74.25 110.889 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.75 95.13 5.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 74.24 111.12 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pt -133.2 102.07 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 74.43 111.115 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.17 105.22 13.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 73.52 110.919 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -122.89 101.69 7.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 74.44 110.86 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -74.69 -42.39 58.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 73.3 110.83 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -71.9 -48.9 42.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.899 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 tp -61.24 -38.16 85.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 73.34 110.975 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.72 -48.77 77.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 73.24 110.889 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -51.68 66.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 74.1 110.96 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -52.22 65.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 74.03 110.939 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.1 mm -61.87 -32.36 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.32 111.148 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -60.62 -50.09 74.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 74.44 110.842 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -71.79 -32.86 68.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 71.54 110.904 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 m -68.39 -50.62 51.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 75.22 110.812 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.6 mt -66.15 -34.17 68.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 74.42 111.105 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.435 ' CG ' ' HA2' ' A' ' 49' ' ' GLY . 8.2 t0 -84.46 120.76 26.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 72.3 110.891 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.05 -40.74 95.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 73.43 111.103 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.4 p30 -108.56 -16.14 14.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 71.41 110.884 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.435 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.5 33.11 70.29 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 65.14 112.493 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.455 ' C ' ' H ' ' A' ' 52' ' ' GLU . 37.6 p-10 -85.65 79.72 9.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.879 0.371 . . . . 74.35 110.895 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.63 -45.41 0.38 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 65.42 112.488 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.459 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -152.04 165.49 34.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 73.32 110.929 -179.85 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.401 ' CG2' ' HA ' ' A' ' 46' ' ' ASP . 1.3 mp -94.15 124.55 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 71.32 111.111 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -76.81 159.41 30.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 72.33 110.823 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -53.85 -45.07 70.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 74.44 110.98 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -58.19 -50.4 73.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 70.31 110.884 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -59.38 -43.88 92.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 72.22 110.902 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -63.84 -41.69 97.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 73.31 110.886 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.8 -51.86 67.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 73.14 111.064 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -66.02 -25.15 66.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 75.33 110.922 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -79.94 -34.2 39.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.867 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -63.46 118.16 7.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.915 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.77 3.8 90.37 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.723 -0.751 . . . . 73.51 112.516 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.41 57.79 1.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 74.32 110.872 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.3 tt -92.57 16.5 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 71.25 111.133 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 72.02 110.881 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 mmt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.817 0.341 . . . . 62.51 110.864 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.12 -69.7 0.83 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.415 . . . . 73.5 111.122 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -102.89 -21.5 13.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 72.23 110.958 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.48 -25.24 15.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 75.03 111.134 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mt -63.12 -37.7 88.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.42 110.942 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -62.78 -48.18 80.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 72.43 110.889 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -74.8 -27.01 60.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 73.44 110.894 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.44 -45.15 80.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.869 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.62 -28.49 40.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 73.01 111.104 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -73.6 75.61 1.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 75.13 110.85 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 t -61.52 -17.5 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 72.54 111.114 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -82.61 -1.42 50.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.907 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.72 42.1 27.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 72.31 112.434 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 p30 -98.98 -17.0 18.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.835 0.35 . . . . 75.54 110.84 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.01 17.82 68.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 70.01 112.416 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.402 ' HB2' ' HG2' ' A' ' 52' ' ' GLU . . . -135.32 140.55 45.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 73.34 111.082 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.1 t -124.15 111.63 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 73.45 111.116 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.467 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -86.45 176.52 7.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 75.31 110.82 -179.872 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -47.85 -45.59 30.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.05 -0.523 . . . . 71.44 110.96 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.67 -48.35 81.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 73.44 110.937 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -56.31 -40.29 74.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 70.52 110.883 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.6 t -62.29 -55.2 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 71.23 111.117 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -35.83 65.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.874 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.49 -42.36 78.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 71.35 111.087 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -51.51 -51.83 51.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 63.1 110.926 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.84 -29.32 40.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 70.4 111.167 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.01 -23.94 64.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 62.43 110.844 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -8.09 54.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 73.42 110.886 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -106.4 -26.65 11.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 73.53 110.881 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -176.25 -173.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 75.15 110.825 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.7 94.88 4.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 65.13 111.121 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.1 mm -133.06 102.32 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 71.22 111.175 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.99 105.17 12.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.891 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -123.5 101.61 7.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.808 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.61 -42.61 58.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 64.21 110.865 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -49.32 35.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 71.52 110.889 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tp -60.59 -39.14 86.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 72.13 110.917 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.86 -46.84 86.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 74.53 110.893 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.21 -51.98 64.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 75.43 110.916 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.45 -52.03 66.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 74.01 110.911 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.5 mm -60.93 -33.28 54.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 74.34 111.115 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -60.32 -50.31 74.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 72.22 110.858 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -71.9 -29.39 64.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 73.5 110.919 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.44 -51.1 31.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 75.25 110.838 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.7 mt -66.52 -37.87 80.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.02 111.112 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.43 ' CG ' ' HA2' ' A' ' 49' ' ' GLY . 8.6 t0 -77.8 121.51 24.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 75.41 110.886 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.42 -42.2 98.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 74.41 111.009 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.5 p30 -108.35 -16.52 14.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.419 . . . . 72.24 110.826 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.43 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.63 32.87 70.16 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 74.22 112.498 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.454 ' C ' ' H ' ' A' ' 52' ' ' GLU . 36.3 p-10 -85.52 79.63 9.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 72.05 110.894 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.86 -45.38 0.41 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.667 -0.777 . . . . 74.23 112.415 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.612 ' O ' 'CA ' ' A' ' 102' ' ' ' CA' . 0.0 OUTLIER -152.57 165.54 34.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 74.31 110.941 -179.866 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.1 mp -95.47 124.74 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 74.14 111.153 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.22 159.0 31.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 65.11 110.861 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -53.75 -45.7 70.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 75.23 110.945 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -58.62 -49.03 78.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 72.15 110.838 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -58.41 -40.64 83.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 72.12 110.894 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -64.94 -42.12 94.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 63.13 110.875 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.62 -52.12 65.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 75.31 111.103 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -66.56 -24.61 66.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 72.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -81.25 -32.81 33.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 74.24 110.89 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -59.15 118.22 5.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 73.45 110.92 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.36 3.4 72.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.752 . . . . 74.14 112.478 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.4 t 51.14 54.4 11.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 75.12 110.876 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.1 mt -94.65 16.56 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.509 . . . . 73.4 111.156 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.489 . . . . 74.12 110.868 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . 0.612 'CA ' ' O ' ' A' ' 52' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.3 mtt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.791 0.329 . . . . 74.22 110.861 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.9 -73.51 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 75.24 111.15 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.86 -21.24 13.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 65.44 110.841 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.67 -25.12 16.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 73.14 111.107 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.81 -39.22 93.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.928 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -63.46 -47.11 83.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 73.54 110.873 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.35 -26.8 61.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 75.24 110.955 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.9 -42.29 77.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 74.54 110.862 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.0 mm -68.0 -23.51 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.492 . . . . 73.35 111.128 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -73.69 75.36 1.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 75.1 110.828 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.6 t -61.3 -17.5 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 72.32 111.191 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.24 -1.05 57.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 72.43 110.977 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.48 47.26 44.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 60.2 112.449 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -105.53 -15.65 14.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.861 0.363 . . . . 64.53 110.877 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.44 16.46 67.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 71.23 112.46 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.4 ' HB1' ' HG2' ' A' ' 52' ' ' GLU . . . -134.34 136.89 43.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.809 0.338 . . . . 63.21 111.111 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.6 t -124.73 112.17 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 74.04 111.087 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.468 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -83.46 175.78 9.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 62.42 110.832 -179.818 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -49.1 -46.21 44.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 75.1 110.915 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.2 -49.5 77.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.072 -0.513 . . . . 74.35 110.892 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.61 -38.04 71.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 73.13 110.91 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.8 -54.88 26.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 72.52 111.148 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -37.76 66.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 75.14 110.852 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.04 -41.5 81.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 74.33 111.148 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -52.07 -51.83 55.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 75.41 110.887 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.02 -29.51 40.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 74.42 111.096 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -22.8 67.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 62.21 110.837 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -72.61 -7.72 51.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 74.44 110.849 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -108.18 -21.89 12.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 74.31 110.913 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -175.99 -173.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 74.31 110.809 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.93 94.83 4.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 73.31 111.127 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pt -133.45 102.14 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 75.25 111.096 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.1 104.59 13.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 75.32 110.884 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -123.69 101.56 7.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 74.34 110.93 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -42.1 59.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 72.52 110.953 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -49.42 41.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 74.44 110.852 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.6 mt -61.49 -37.56 84.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 72.54 110.922 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.27 -47.72 83.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 74.41 110.921 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.5 -51.82 63.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 64.44 110.964 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.98 -51.91 67.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 75.43 110.891 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.9 mt -61.77 -32.71 54.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 71.01 111.152 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -59.99 -51.4 69.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 74.53 110.85 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -30.88 65.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 72.55 110.886 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -68.79 -49.72 56.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 71.2 110.881 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 58.2 mt -65.84 -33.94 66.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 74.25 111.102 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.446 ' CG ' ' HA2' ' A' ' 49' ' ' GLY . 7.8 t0 -83.32 120.74 26.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 63.14 110.896 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.31 -40.85 94.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 63.32 111.061 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.3 p-10 -108.71 -15.84 14.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 74.24 110.819 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.446 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 59.22 33.12 73.79 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.718 -0.753 . . . . 75.22 112.482 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.441 ' C ' ' H ' ' A' ' 52' ' ' GLU . 36.8 p-10 -85.12 79.73 9.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.906 0.384 . . . . 71.45 110.941 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.63 -45.69 0.39 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 74.53 112.499 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.604 ' O ' 'CA ' ' A' ' 102' ' ' ' CA' . 0.0 OUTLIER -152.23 164.79 36.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.36 . . . . 74.54 110.889 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.4 mp -91.68 118.81 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 74.35 111.141 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -76.28 159.08 30.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 71.51 110.876 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -52.95 -45.66 67.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 54.1 110.898 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -58.41 -50.07 74.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 73.51 110.912 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -61.4 -42.47 98.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.874 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -64.16 -43.56 94.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 74.51 110.875 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.9 -51.86 67.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 72.41 111.134 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -66.01 -24.92 66.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 74.35 110.931 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -80.3 -34.19 37.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 74.51 110.891 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -63.67 118.88 8.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 62.24 110.928 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.28 3.51 90.06 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.781 -0.723 . . . . 54.21 112.522 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 38.9 t -93.91 25.39 3.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.894 0.378 . . . . 63.24 110.857 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.9 mp -92.85 16.51 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 72.24 111.158 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 74.23 110.967 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . 0.604 'CA ' ' O ' ' A' ' 52' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.862 0.363 . . . . 73.239999999999995 110.901 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.64 -26.32 13.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 62.229999999999997 111.122 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mt -62.17 -37.82 86.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 64.430000000000007 110.896 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.6 ' CE2' HG22 ' A' ' 17' ' ' VAL . 4.7 t80 -61.67 -49.18 77.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 73.209999999999994 110.918 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.59 -27.0 60.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.101 -0.5 . . . . 72.140000000000001 110.842 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -65.55 -43.4 90.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 62.509999999999998 110.9 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.447 HD11 ' CE1' ' A' ' 25' ' ' PHE . 32.3 mm -68.56 -22.63 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 70.430000000000007 111.135 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.8 78.23 9.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 65.219999999999999 110.874 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.14 -16.93 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 75.340000000000003 111.119 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -83.78 -1.51 54.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 73.209999999999994 110.904 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 49.0 43.76 31.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.725 -0.75 . . . . 71.439999999999998 112.514 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.2 p30 -100.32 -15.73 17.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 60.240000000000002 110.867 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.88 10.34 77.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.679 -0.772 . . . . 74.209999999999994 112.498 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.678 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -134.65 137.75 43.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.905 0.383 . . . . 72.209999999999994 111.09 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.696 HG12 ' OE1' ' A' ' 21' ' ' GLU . 35.3 m -123.98 117.74 51.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.441 . . . . 71.540000000000006 111.115 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.509 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -83.73 177.57 8.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 54.210000000000001 110.907 -179.872 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.443 ' HB2' HD11 ' A' ' 38' ' ' LEU . 40.1 p90 -47.35 -44.8 24.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.349999999999994 110.898 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -58.48 -47.05 85.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 75.439999999999998 110.816 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.696 ' OE1' HG12 ' A' ' 17' ' ' VAL . 1.9 mm-40 -56.6 -42.57 78.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 75.049999999999997 110.886 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.4 t -61.39 -54.7 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 73.319999999999993 111.131 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.443 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -55.62 -35.14 65.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 73.040000000000006 110.937 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.07 -42.89 79.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 74.450000000000003 111.106 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.447 ' CE1' HD11 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -51.62 -52.65 45.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 63.299999999999997 110.828 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -29.6 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 75.099999999999994 111.128 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.23 -23.57 67.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 75.430000000000007 110.905 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -73.67 -6.92 49.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 73.230000000000004 110.933 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -108.32 -24.24 11.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 73.430000000000007 110.856 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -175.59 -173.8 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 71.439999999999998 110.822 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.78 95.19 5.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 71.030000000000001 111.058 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.4 mt -132.83 102.46 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 61.140000000000001 111.107 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.78 105.06 12.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 73.510000000000005 110.893 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -123.28 101.9 7.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 74.450000000000003 110.885 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -42.43 59.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 72.019999999999996 110.887 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -49.12 37.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 72.109999999999999 110.88 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tp -60.99 -38.86 87.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.310000000000002 110.891 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.508 ' O ' HD22 ' A' ' 38' ' ' LEU . 1.8 tm? -62.69 -47.94 81.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 71.340000000000003 110.916 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -51.4 64.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 74.420000000000002 110.902 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.7 -51.7 68.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 62.520000000000003 110.96 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.4 mm -62.39 -32.98 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 72.439999999999998 111.166 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -59.42 -52.41 65.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 73.540000000000006 110.853 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.0 -31.56 66.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 73.010000000000005 110.902 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 m -67.23 -50.95 58.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 75.140000000000001 110.787 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.7 mt -67.23 -28.55 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 64.200000000000003 111.085 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.652 ' HA ' HG23 ' A' ' 53' ' ' ILE . 7.9 t0 -87.23 121.5 29.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 44.140000000000001 110.875 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.09 -42.08 97.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 65.439999999999998 111.034 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.0 p30 -108.89 -16.26 14.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.243 -0.435 . . . . 72.329999999999998 110.865 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.452 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.6 33.03 70.39 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.727 -0.749 . . . . 75.340000000000003 112.481 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.2 p-10 -84.94 80.12 9.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 65.150000000000006 110.88 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.83 -45.35 0.4 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.802 -0.713 . . . . 65.420000000000002 112.534 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.678 ' OE1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -152.22 165.36 35.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 62.43 110.898 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.652 HG23 ' HA ' ' A' ' 46' ' ' ASP . 1.2 mp -94.15 124.81 46.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 65.25 111.141 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.91 159.83 29.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 65.049999999999997 110.893 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -55.79 -46.42 78.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 73.129999999999995 110.971 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.46 -48.38 80.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 54.329999999999998 110.928 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -58.22 -42.25 85.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.499 . . . . 75.310000000000002 110.861 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -63.34 -43.73 96.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 74.329999999999998 110.879 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.18 -51.61 68.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 64.140000000000001 111.067 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -24.92 66.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 65.129999999999995 110.946 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.6 t80 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 75.140000000000001 110.86 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.526 0.051 0 CA-C-O 120.853 0.359 . . . . 75.120000000000005 110.907 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.26 -27.55 69.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 62.420000000000002 111.113 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mt -63.41 -35.88 81.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 45.350000000000001 110.936 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.587 ' HE2' HG22 ' A' ' 17' ' ' VAL . 4.1 t80 -62.55 -49.48 75.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 73.319999999999993 110.89 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -75.63 -26.89 58.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 64.510000000000005 110.898 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -65.82 -43.23 89.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 62.32 110.895 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.0 mm -68.36 -23.89 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 65.209999999999994 111.169 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.87 75.17 4.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 72.530000000000001 110.855 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.2 t -61.51 -18.44 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 64.040000000000006 111.105 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -82.85 -0.82 49.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 64.209999999999994 110.88 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.68 45.25 48.11 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.803 -0.713 . . . . 73.400000000000006 112.434 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.5 p30 -104.11 -15.81 15.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 74.450000000000003 110.878 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.65 12.85 64.93 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.778 -0.725 . . . . 54.520000000000003 112.563 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.702 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -134.73 138.93 44.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 72.299999999999997 111.164 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.684 ' O ' HD12 ' A' ' 53' ' ' ILE . 35.7 m -123.9 118.81 55.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 60.32 111.187 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.504 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -84.27 178.06 7.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 62.210000000000001 110.857 -179.768 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -47.04 -45.62 21.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 74.010000000000005 110.858 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -58.4 -47.56 83.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 70.400000000000006 110.916 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.43 ' OE1' HG12 ' A' ' 17' ' ' VAL . 5.8 mt-10 -56.18 -41.64 75.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 75.5 110.892 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.22 -54.89 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 73.349999999999994 111.127 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.561 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -54.65 -37.41 65.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 73.530000000000001 110.843 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.19 -40.95 86.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 73.129999999999995 111.076 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -51.82 -51.88 53.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 73.5 110.811 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.87 -29.52 40.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.148 -0.478 . . . . 64.540000000000006 111.175 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.49 -23.28 67.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 71.540000000000006 110.896 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.97 -7.26 50.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 71.420000000000002 110.857 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -107.66 -38.56 5.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 71.099999999999994 110.923 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.59 -173.44 3.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 65.319999999999993 110.863 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.91 95.22 5.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 72.109999999999999 111.097 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.45 ' O ' HG23 ' A' ' 32' ' ' ILE . 3.2 tp -133.41 102.38 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 74.349999999999994 111.17 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.93 104.98 11.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 75.010000000000005 110.918 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -123.83 101.78 7.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 72.239999999999995 110.907 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -74.62 -42.36 58.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 72.209999999999994 110.942 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -48.79 42.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 63.140000000000001 110.84 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tp -61.9 -37.54 84.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.26 -0.427 . . . . 75.340000000000003 110.887 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.561 HD23 ' HG2' ' A' ' 23' ' ' LYS . 1.7 tm? -62.58 -48.2 80.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 64.340000000000003 110.943 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.5 -51.36 65.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 74.030000000000001 110.897 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.96 -52.01 66.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 63.329999999999998 110.887 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.7 mm -61.96 -32.97 55.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.177 -0.465 . . . . 53.140000000000001 111.105 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -59.46 -52.76 64.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 74.409999999999997 110.862 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.04 -31.79 66.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 73.450000000000003 110.915 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m -66.96 -51.22 57.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 72.329999999999998 110.903 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 53.0 mt -66.56 -26.26 37.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 73.219999999999999 111.131 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.621 ' HA ' HG23 ' A' ' 53' ' ' ILE . 8.1 t0 -88.49 121.84 31.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 64.430000000000007 110.867 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.12 -43.33 98.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 63.210000000000001 111.063 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.7 p30 -108.64 -15.95 14.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 71.340000000000003 110.845 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.466 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.79 33.3 72.51 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.697 -0.763 . . . . 72.230000000000004 112.468 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -85.42 80.22 9.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 73.439999999999998 110.886 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.91 -45.65 0.42 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.811 -0.709 . . . . 63.32 112.474 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.702 ' OE1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -152.49 165.94 33.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 53.399999999999999 110.898 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.684 HD12 ' O ' ' A' ' 17' ' ' VAL . 1.2 mp -95.46 127.46 47.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 73.400000000000006 111.102 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -79.84 159.78 26.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 74.430000000000007 110.888 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -54.8 -44.81 74.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 75.219999999999999 110.95 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.79 -46.41 90.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 73.209999999999994 110.89 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -60.46 -41.39 94.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 74.230000000000004 110.848 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -64.16 -45.4 88.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 75.430000000000007 110.918 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.66 -51.68 68.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 72.439999999999998 111.08 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -65.3 -25.16 67.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 73.340000000000003 110.905 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.7 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 74.530000000000001 110.88 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.929 0.395 . . . . 75.040000000000006 110.952 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.48 -26.49 13.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 61.219999999999999 111.023 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mt -61.85 -38.04 86.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 55.130000000000003 110.912 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.646 ' CE2' HG22 ' A' ' 17' ' ' VAL . 3.4 t80 -61.23 -48.86 79.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 63.100000000000001 110.868 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -26.82 59.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 73.510000000000005 110.899 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -65.82 -42.0 91.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 73.129999999999995 110.853 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.56 HD11 ' CE1' ' A' ' 25' ' ' PHE . 27.8 mm -68.29 -22.83 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 71.409999999999997 111.154 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.51 77.2 8.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 110.894 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.9 t -64.08 -15.33 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 74.129999999999995 111.136 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -82.75 -0.81 49.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 75.209999999999994 110.939 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.43 46.68 45.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.64 -0.791 . . . . 51.420000000000002 112.506 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.5 p30 -107.86 -15.99 14.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 71.530000000000001 110.85 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.24 11.41 75.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 30.32 112.487 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.689 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -134.88 137.45 43.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 73.150000000000006 111.069 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.646 HG22 ' CE2' ' A' ' 6' ' ' PHE . 31.0 m -123.95 118.45 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 74.450000000000003 111.068 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.524 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -82.57 177.39 8.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 54.030000000000001 110.876 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.406 ' HB2' HD11 ' A' ' 38' ' ' LEU . 37.9 p90 -47.75 -45.64 29.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 73.209999999999994 110.935 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -46.57 83.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 65.540000000000006 110.913 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.518 ' OE1' HG12 ' A' ' 17' ' ' VAL . 6.7 mt-10 -57.09 -41.71 79.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 75.409999999999997 110.914 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 65.6 t -61.79 -54.7 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 71.340000000000003 111.136 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.584 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -55.96 -35.24 66.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 75.439999999999998 110.906 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.38 -42.56 78.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 73.439999999999998 111.091 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CE1' HD11 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -51.84 -52.51 48.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 71.140000000000001 110.869 -179.898 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.36 -29.59 42.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.102 -0.499 . . . . 74.140000000000001 111.16 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -64.05 -23.55 67.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 75.239999999999995 110.881 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -73.53 -7.17 50.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 74.109999999999999 110.9 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -108.34 -23.08 12.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 75.400000000000006 110.883 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -175.55 -174.01 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 72.0 110.849 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.74 95.14 5.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 63.109999999999999 111.132 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pt -132.9 102.22 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 75.219999999999999 111.085 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.49 104.85 13.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 64.430000000000007 110.937 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -123.42 102.01 7.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 70.299999999999997 110.895 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.26 -42.52 59.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.115 -0.493 . . . . 74.120000000000005 110.878 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -72.19 -48.8 40.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 73.109999999999999 110.965 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.13 -38.91 88.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 74.409999999999997 110.939 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.584 HD23 ' HG2' ' A' ' 23' ' ' LYS . 1.8 tm? -62.75 -48.0 81.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 55.109999999999999 110.927 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -51.44 64.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 74.340000000000003 110.894 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.72 -51.85 67.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 72.310000000000002 110.867 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.4 mm -62.11 -33.17 57.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 73.310000000000002 111.217 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -59.17 -52.05 67.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 74.420000000000002 110.952 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.21 -31.33 65.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 72.120000000000005 110.908 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.0 m -67.38 -50.68 58.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 72.319999999999993 110.858 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 59.1 mt -66.44 -34.79 72.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 64.239999999999995 111.153 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.671 ' HA ' HG23 ' A' ' 53' ' ' ILE . 7.3 t0 -81.19 120.6 25.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 74.319999999999993 110.84 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.429 ' HB3' ' HG2' ' A' ' 57' ' ' GLU . . . -64.92 -40.78 95.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 71.430000000000007 111.159 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.3 p30 -109.01 -16.49 14.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 64.140000000000001 110.853 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.456 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.38 33.04 69.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 62.329999999999998 112.462 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.411 ' C ' ' H ' ' A' ' 52' ' ' GLU . 37.6 p-10 -84.91 80.35 9.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 75.439999999999998 110.941 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.9 -45.61 0.42 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.827 -0.702 . . . . 51.43 112.44 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.689 ' OE1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -152.07 164.79 36.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 74.319999999999993 110.868 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.671 HG23 ' HA ' ' A' ' 46' ' ' ASP . 1.3 mp -92.29 120.25 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 73.120000000000005 111.169 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.05 159.68 28.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 74.319999999999993 110.883 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -53.89 -46.26 71.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 74.310000000000002 110.908 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.29 -50.16 74.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.430000000000007 110.922 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.429 ' HG2' ' HB3' ' A' ' 47' ' ' ALA . 25.1 mt-10 -60.11 -41.86 93.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 70.129999999999995 110.901 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -62.59 -44.71 95.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 73.400000000000006 110.879 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.47 -51.61 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 73.299999999999997 111.179 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -25.12 67.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 63.119999999999997 110.902 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.2 t80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 72.310000000000002 110.902 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.0 pm0 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.849 0.356 . . . . 72.230000000000004 110.833 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.25 -26.59 12.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 65.319999999999993 111.083 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 mt -61.61 -39.59 91.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 72.299999999999997 110.859 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.401 ' CE2' HG23 ' A' ' 17' ' ' VAL . 2.7 t80 -61.55 -47.22 86.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 74.109999999999999 110.919 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -74.15 -26.9 60.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 73.209999999999994 110.889 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -66.97 -41.67 86.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 61.310000000000002 110.872 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.9 mm -68.35 -23.62 28.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 75.530000000000001 111.1 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.42 77.2 4.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 50.149999999999999 110.893 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.08 -20.65 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 61.240000000000002 111.094 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -82.97 -0.98 51.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 63.219999999999999 110.874 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.03 45.89 41.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 62.32 112.53 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.9 p30 -104.01 -16.58 15.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 72.409999999999997 110.904 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.85 19.82 71.86 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.741 -0.742 . . . . 65.209999999999994 112.504 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.578 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -133.68 135.73 44.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.335 . . . . 62.299999999999997 111.143 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.851 HG13 ' HB3' ' A' ' 21' ' ' GLU . 54.0 t -124.11 113.14 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 63.210000000000001 111.139 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.493 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -84.86 175.78 8.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 44.329999999999998 110.891 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.624 ' HB2' HD11 ' A' ' 38' ' ' LEU . 38.7 p90 -49.35 -45.86 46.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 74.540000000000006 110.867 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.87 -48.29 82.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 73.239999999999995 110.939 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.851 ' HB3' HG13 ' A' ' 17' ' ' VAL . 1.1 mt-10 -57.52 -36.77 72.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 72.239999999999995 110.859 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.451 HG23 HG12 ' A' ' 17' ' ' VAL . 54.9 t -65.19 -54.92 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 75.219999999999999 111.161 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -37.49 68.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 74.349999999999994 110.846 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.9 -42.25 77.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 64.530000000000001 111.158 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -51.91 -51.67 55.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 62.420000000000002 110.85 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.51 -29.5 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 71.329999999999998 111.15 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.99 -23.8 63.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 72.340000000000003 110.862 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -72.91 -8.29 54.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 74.129999999999995 110.879 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -106.5 -24.81 12.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 73.420000000000002 110.903 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -175.87 -173.69 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 64.140000000000001 110.895 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.78 95.07 5.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 70.510000000000005 111.144 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pt -133.31 102.02 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 45.509999999999998 111.135 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.95 104.52 14.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 74.239999999999995 110.946 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -123.55 101.42 7.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 64.25 110.87 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.77 -42.71 57.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 73.040000000000006 110.856 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.32 -49.22 36.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 73.310000000000002 110.929 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 tp -60.83 -38.81 86.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 73.150000000000006 110.878 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.624 HD11 ' HB2' ' A' ' 19' ' ' TYR . 1.9 tm? -63.07 -47.33 83.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 62.240000000000002 110.955 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -51.78 65.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 70.420000000000002 110.945 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.34 -52.02 66.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 74.010000000000005 110.975 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.9 mm -61.07 -34.14 58.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 64.340000000000003 111.077 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -59.27 -51.3 70.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 75.150000000000006 110.925 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.16 -29.41 63.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 75.439999999999998 110.872 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.39 -51.03 40.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 62.509999999999998 110.887 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.722 HG23 ' CE2' ' A' ' 61' ' ' PHE . 69.9 mt -66.8 -40.62 86.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 74.129999999999995 111.139 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.647 ' HA ' HG23 ' A' ' 53' ' ' ILE . 7.9 t0 -73.98 121.12 20.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 53.049999999999997 110.854 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.409 ' HB3' ' HG2' ' A' ' 57' ' ' GLU . . . -63.84 -42.41 97.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 61.409999999999997 111.131 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.6 p30 -108.35 -16.23 14.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 61.210000000000001 110.911 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.46 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.52 33.01 69.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.811 -0.709 . . . . 51.32 112.501 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.42 ' C ' ' H ' ' A' ' 52' ' ' GLU . 38.2 p-10 -85.15 79.99 9.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 71.230000000000004 110.936 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.91 -45.31 0.41 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.739 . . . . 61.409999999999997 112.509 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.578 ' OE1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -152.67 165.49 35.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 70.25 110.847 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.743 HD12 ' O ' ' A' ' 17' ' ' VAL . 1.2 mp -94.51 123.7 46.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.499 . . . . 74.409999999999997 111.093 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.57 159.02 30.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 73.430000000000007 110.79 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -53.25 -44.13 67.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 62.119999999999997 110.94 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -58.3 -50.07 74.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 73.420000000000002 110.878 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.409 ' HG2' ' HB3' ' A' ' 47' ' ' ALA . 48.1 mt-10 -60.49 -43.76 96.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 75.439999999999998 110.899 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -64.19 -40.8 96.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 75.420000000000002 110.867 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.82 -51.94 67.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 74.540000000000006 111.156 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -65.78 -24.91 67.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 64.209999999999994 110.971 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.722 ' CE2' HG23 ' A' ' 45' ' ' ILE . 3.5 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 74.140000000000001 110.877 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.813 0.34 . . . . 72.140000000000001 110.908 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.0 -27.33 13.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 72.400000000000006 111.105 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 mt -60.64 -39.78 89.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 73.340000000000003 110.932 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 3.3 t80 -62.39 -48.03 81.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 71.239999999999995 110.897 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.2 -26.85 62.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 62.409999999999997 110.89 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -68.26 -42.11 80.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 62.140000000000001 110.831 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.8 mm -68.39 -24.09 29.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 73.340000000000003 111.153 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -76.03 75.37 2.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 75.319999999999993 110.893 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.3 -21.84 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 73.340000000000003 111.105 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -83.0 -0.97 51.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 71.450000000000003 110.89 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.22 46.24 43.5 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 53.009999999999998 112.552 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.7 p30 -104.9 -16.81 14.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 54.229999999999997 110.838 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.5 19.34 72.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.745 -0.741 . . . . 64.0 112.526 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.581 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -133.98 135.37 43.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.775 0.321 . . . . 73.0 111.124 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.852 HG13 ' HB3' ' A' ' 21' ' ' GLU . 54.5 t -124.31 113.2 35.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 62.049999999999997 111.131 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.486 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -84.49 175.8 9.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 44.43 110.886 -179.844 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.414 ' HB2' HD11 ' A' ' 38' ' ' LEU . 39.0 p90 -49.4 -46.03 46.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.118 -0.492 . . . . 75.230000000000004 110.887 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.67 -48.58 81.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 72.209999999999994 110.888 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.852 ' HB3' HG13 ' A' ' 17' ' ' VAL . 1.4 mt-10 -57.36 -36.4 71.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 74.140000000000001 110.884 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.445 HG23 HG12 ' A' ' 17' ' ' VAL . 53.2 t -65.44 -55.06 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 72.099999999999994 111.159 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -38.03 67.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 63.439999999999998 110.909 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.58 -41.8 79.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 72.230000000000004 111.115 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -51.82 -51.72 54.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 71.219999999999999 110.866 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.68 -29.47 41.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 73.109999999999999 111.119 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.17 -23.55 64.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 73.200000000000003 110.871 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -8.44 55.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 75.310000000000002 110.871 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -106.02 -24.89 12.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.445 . . . . 55.520000000000003 110.828 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -176.24 -173.91 0.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 64.439999999999998 110.815 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.74 95.02 5.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 60.240000000000002 111.128 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.9 mt -133.15 102.23 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 61.009999999999998 111.119 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.79 104.96 13.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 74.450000000000003 110.888 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -123.37 101.49 7.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 75.140000000000001 110.893 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -42.64 58.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 64.340000000000003 110.924 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -49.05 38.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 64.049999999999997 110.901 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tp -60.95 -38.35 85.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 54.049999999999997 110.962 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.517 ' O ' HD22 ' A' ' 38' ' ' LEU . 1.7 tm? -62.82 -47.56 82.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 71.129999999999995 110.976 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -51.68 65.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 73.120000000000005 110.938 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.56 -51.94 66.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 72.120000000000005 110.912 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.3 mm -61.29 -32.38 52.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 71.430000000000007 111.194 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -60.97 -51.4 69.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 72.329999999999998 110.872 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -30.16 64.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 73.219999999999999 110.901 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.9 m -70.05 -50.35 42.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 64.450000000000003 110.845 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.7 mt -66.08 -32.66 59.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 73.150000000000006 111.115 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.665 ' HA ' HG23 ' A' ' 53' ' ' ILE . 7.9 t0 -83.65 120.73 26.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 74.230000000000004 110.879 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.433 ' HB3' ' HG2' ' A' ' 57' ' ' GLU . . . -64.69 -41.62 95.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 72.420000000000002 111.136 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.8 p30 -108.3 -15.93 14.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 55.140000000000001 110.871 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.448 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 59.13 33.11 73.24 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.692 -0.766 . . . . 73.219999999999999 112.531 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.416 ' C ' ' H ' ' A' ' 52' ' ' GLU . 38.7 p-10 -86.02 79.86 9.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 72.430000000000007 110.86 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.77 -45.51 0.4 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 60.149999999999999 112.458 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.581 ' OE1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -152.5 165.55 34.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.815 0.341 . . . . 73.420000000000002 110.849 -179.796 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.768 HD12 ' O ' ' A' ' 17' ' ' VAL . 1.3 mp -93.37 123.86 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 74.329999999999998 111.126 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -76.69 159.4 30.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 74.109999999999999 110.856 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -53.81 -44.98 70.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 53.450000000000003 110.976 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -49.97 75.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 71.129999999999995 110.854 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.433 ' HG2' ' HB3' ' A' ' 47' ' ' ALA . 50.2 mt-10 -59.76 -43.38 94.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 73.120000000000005 110.869 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -63.96 -41.73 97.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 72.430000000000007 110.908 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.28 -51.77 68.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 31.239999999999998 111.116 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -66.33 -24.82 66.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 74.420000000000002 110.914 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.0 t80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 72.439999999999998 110.89 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.903 0.383 . . . . 74.209999999999994 110.905 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.11 -26.96 12.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 74.049999999999997 111.113 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mt -61.42 -37.83 84.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.442 . . . . 71.409999999999997 110.973 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.638 ' CE2' HG22 ' A' ' 17' ' ' VAL . 3.4 t80 -60.61 -49.18 78.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 75.340000000000003 110.893 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -26.71 58.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 71.129999999999995 110.943 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -65.56 -41.12 93.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 75.209999999999994 110.869 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.437 HD11 ' CE1' ' A' ' 25' ' ' PHE . 34.6 mm -68.3 -23.82 28.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 33.140000000000001 111.13 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.43 75.09 6.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 73.239999999999995 110.942 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.1 t -61.42 -19.27 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 74.329999999999998 111.067 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -82.91 -0.55 48.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 62.100000000000001 110.921 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.53 46.37 53.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 73.510000000000005 112.537 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -102.76 -15.69 16.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.849 0.357 . . . . 62.119999999999997 110.825 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.45 8.92 67.65 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.751 -0.738 . . . . 52.310000000000002 112.502 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.697 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -134.28 139.44 45.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 63.43 111.09 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.699 HG12 ' OE1' ' A' ' 21' ' ' GLU . 35.5 m -124.05 117.12 49.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 71.25 111.14 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.517 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -82.75 177.47 8.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 65.099999999999994 110.825 -179.847 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.413 ' HB2' HD11 ' A' ' 38' ' ' LEU . 39.4 p90 -47.47 -45.4 26.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 72.439999999999998 110.971 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.52 -46.58 83.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 71.540000000000006 110.971 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.699 ' OE1' HG12 ' A' ' 17' ' ' VAL . 2.2 mm-40 -56.75 -41.57 77.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 72.420000000000002 110.943 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.2 t -61.67 -55.05 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 74.319999999999993 111.056 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.569 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -56.12 -34.67 66.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 75.430000000000007 110.875 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.34 -43.12 78.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 75.329999999999998 111.05 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.437 ' CE1' HD11 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -51.48 -52.57 45.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 72.519999999999996 110.848 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.54 -29.45 41.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 73.099999999999994 111.123 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.48 -23.43 67.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 70.019999999999996 110.819 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -73.46 -7.36 51.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 72.239999999999995 110.867 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -108.56 -22.39 12.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 70.540000000000006 110.944 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -176.22 -173.81 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 74.239999999999995 110.905 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.52 95.08 5.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 63.409999999999997 111.162 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.452 HG22 ' ND2' ' A' ' 34' ' ' ASN . 40.0 mm -133.17 102.3 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 61.310000000000002 111.102 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.78 105.17 13.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 64.120000000000005 110.917 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.452 ' ND2' HG22 ' A' ' 32' ' ' ILE . 1.6 m-80 -123.1 101.7 7.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 72.209999999999994 110.902 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -41.48 60.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 73.209999999999994 110.894 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -50.98 24.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 75.099999999999994 110.882 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.403 ' HB3' ' HB3' ' A' ' 34' ' ' ASN . 8.7 tp -60.07 -38.9 84.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.294 -0.412 . . . . 61.530000000000001 110.889 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.569 HD23 ' HG2' ' A' ' 23' ' ' LYS . 1.7 tm? -62.05 -47.94 82.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 74.319999999999993 110.968 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -51.72 64.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 70.310000000000002 110.86 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.83 -51.86 67.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 64.430000000000007 110.926 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.3 mm -61.76 -33.26 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 61.119999999999997 111.153 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -59.33 -52.14 66.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 73.340000000000003 110.868 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -72.27 -31.03 65.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.479 . . . . 74.310000000000002 110.877 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.3 m -67.74 -50.99 54.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 73.540000000000006 110.855 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 57.4 mt -66.52 -32.78 59.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 74.450000000000003 111.169 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.672 ' HA ' HG23 ' A' ' 53' ' ' ILE . 7.5 t0 -83.21 121.06 26.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 74.219999999999999 110.888 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.446 ' HB3' ' HG2' ' A' ' 57' ' ' GLU . . . -64.34 -41.49 96.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 71.540000000000006 111.057 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.8 p-10 -109.11 -16.37 14.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.302 -0.408 . . . . 72.510000000000005 110.857 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.454 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.82 32.92 71.06 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.73 -0.748 . . . . 62.539999999999999 112.544 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.414 ' C ' ' H ' ' A' ' 52' ' ' GLU . 35.8 p-10 -84.25 80.06 9.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.809 0.338 . . . . 63.219999999999999 110.856 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.76 -45.67 0.4 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.75 -0.738 . . . . 64.340000000000003 112.523 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.697 ' OE1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -151.83 165.15 35.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.322 . . . . 75.230000000000004 110.933 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 17' ' ' VAL . 1.3 mp -93.51 122.23 44.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 74.0 111.132 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -80.44 159.7 25.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 73.510000000000005 110.884 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -53.08 -46.16 68.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 74.099999999999994 110.925 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -58.35 -50.2 74.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 73.430000000000007 110.917 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.446 ' HG2' ' HB3' ' A' ' 47' ' ' ALA . 35.4 mt-10 -60.29 -41.91 94.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 52.310000000000002 110.942 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -62.59 -43.92 97.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 54.130000000000003 110.913 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.23 -51.58 68.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 72.340000000000003 111.089 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -63.99 -25.14 68.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 71.430000000000007 110.928 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.9 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 71.0 110.929 179.928 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.833 0.349 . . . . 72.030000000000001 110.871 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.74 -26.31 13.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 70.439999999999998 111.116 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mt -62.33 -37.34 85.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 63.229999999999997 110.898 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.579 ' HE2' HG22 ' A' ' 17' ' ' VAL . 3.5 t80 -61.72 -48.83 78.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 74.219999999999999 110.849 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -75.41 -27.07 58.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 75.549999999999997 110.926 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -65.86 -42.39 90.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 73.140000000000001 110.859 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.7 mm -68.37 -24.15 29.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 75.319999999999993 111.067 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -77.26 75.1 3.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 73.329999999999998 110.877 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.2 t -62.13 -18.92 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 74.109999999999999 111.04 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -82.86 -0.47 48.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.462 . . . . 74.409999999999997 110.894 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.12 46.48 50.86 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.721 -0.752 . . . . 72.209999999999994 112.457 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.2 p30 -105.93 -15.58 14.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 74.099999999999994 110.875 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.86 12.72 65.23 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.669 -0.777 . . . . 71.019999999999996 112.501 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.701 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -134.94 139.92 45.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.846 0.355 . . . . 64.209999999999994 111.079 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.609 ' O ' HD12 ' A' ' 53' ' ' ILE . 28.0 m -123.57 119.98 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 74.120000000000005 111.123 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.509 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -84.75 177.77 7.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 73.120000000000005 110.83 -179.825 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.765 ' HB2' HD11 ' A' ' 38' ' ' LEU . 39.7 p90 -47.04 -45.06 21.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 63.439999999999998 110.889 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.89 -48.35 81.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 70.510000000000005 110.897 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.454 ' OE1' HG12 ' A' ' 17' ' ' VAL . 6.4 mt-10 -55.49 -42.09 73.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 65.540000000000006 110.857 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.8 t -61.3 -54.81 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 74.510000000000005 111.114 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -36.27 64.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 64.109999999999999 110.912 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.53 -41.94 83.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 61.0 111.093 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -51.7 -52.12 50.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 63.32 110.888 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.18 -29.4 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 61.32 111.126 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -63.7 -23.27 67.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 73.140000000000001 110.899 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -73.4 -6.61 47.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 73.230000000000004 110.934 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -109.71 -23.05 11.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 74.400000000000006 110.9 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -175.48 -173.5 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 75.129999999999995 110.899 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.89 94.93 4.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 54.43 111.082 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pt -133.6 102.16 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 44.130000000000003 111.141 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 104.97 14.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 73.530000000000001 110.955 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -123.66 101.25 7.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 71.510000000000005 110.897 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.89 -43.31 55.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 75.140000000000001 110.874 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -50.04 32.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 65.010000000000005 110.917 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 tp -59.22 -43.43 92.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 72.310000000000002 110.935 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.765 HD11 ' HB2' ' A' ' 19' ' ' TYR . 2.3 tm? -59.27 -45.17 91.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 73.540000000000006 110.895 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -51.89 66.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 72.230000000000004 110.948 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.65 -52.53 63.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 60.310000000000002 110.943 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.21 -31.65 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 74.400000000000006 111.151 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.413 ' HA ' HG22 ' A' ' 45' ' ' ILE . 51.2 t80 -66.39 -37.83 86.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 73.530000000000001 110.944 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -73.54 -41.38 63.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 72.420000000000002 110.873 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.83 -42.25 64.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 73.230000000000004 110.84 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.413 HG22 ' HA ' ' A' ' 42' ' ' PHE . 1.2 tt -65.78 -30.73 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 73.400000000000006 111.088 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.576 ' HA ' HG23 ' A' ' 53' ' ' ILE . 8.8 t0 -92.85 122.03 34.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 73.430000000000007 110.903 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.6 -44.1 97.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 55.140000000000001 111.113 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.7 p30 -108.36 -16.72 14.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 74.209999999999994 110.857 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.461 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.48 32.99 69.75 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.74 -0.743 . . . . 15.4 112.538 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.418 ' C ' ' H ' ' A' ' 52' ' ' GLU . 39.2 p-10 -86.66 80.5 8.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.947 0.403 . . . . 72.219999999999999 110.929 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.13 -45.3 0.44 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.733 -0.746 . . . . 33.329999999999998 112.462 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.701 ' OE1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -152.59 166.33 32.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 72.540000000000006 110.891 -179.836 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.609 HD12 ' O ' ' A' ' 17' ' ' VAL . 1.0 OUTLIER -97.09 129.91 46.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 64.140000000000001 111.219 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -81.98 159.42 23.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 73.319999999999993 110.839 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -53.08 -45.54 68.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 75.140000000000001 110.925 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -59.07 -49.28 78.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 74.230000000000004 110.852 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -58.69 -42.86 89.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 75.430000000000007 110.877 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -62.09 -43.07 99.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 74.340000000000003 110.916 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.51 -51.33 69.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 70.25 111.131 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -62.61 -27.64 69.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 75.099999999999994 110.921 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 8.6 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 61.149999999999999 110.875 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.846 0.355 . . . . 72.510000000000005 110.933 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.1 -25.65 13.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 50.229999999999997 111.053 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mt -62.5 -38.78 91.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 63.530000000000001 110.919 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -62.68 -47.7 82.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.140000000000001 110.856 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -73.95 -26.84 60.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 65.109999999999999 110.892 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -67.09 -43.18 83.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.421 . . . . 74.129999999999995 110.877 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.3 mm -68.38 -23.38 28.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 51.130000000000003 111.109 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -78.52 75.63 5.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 61.340000000000003 110.868 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.56 -19.69 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 64.200000000000003 111.114 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -83.02 -1.07 51.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 73.310000000000002 110.868 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 49.38 43.63 35.06 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.81 -0.71 . . . . 62.439999999999998 112.445 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.4 p30 -100.62 -16.77 17.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.351 . . . . 71.019999999999996 110.908 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.22 17.32 72.01 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.725 -0.75 . . . . 62.539999999999999 112.476 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.592 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -133.76 139.31 46.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 73.409999999999997 111.126 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.801 HG13 ' HB3' ' A' ' 21' ' ' GLU . 41.8 t -124.53 112.65 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 62.520000000000003 111.061 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.47 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -85.96 175.9 8.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.084 -0.507 . . . . 70.120000000000005 110.889 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -48.66 -45.76 39.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 70.439999999999998 110.91 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.93 -48.35 82.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 74.310000000000002 110.921 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.801 ' HB3' HG13 ' A' ' 17' ' ' VAL . 1.1 mt-10 -56.63 -38.58 72.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 75.219999999999999 110.887 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.424 HG23 HG12 ' A' ' 17' ' ' VAL . 55.5 t -63.53 -54.9 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 74.319999999999993 111.076 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.18 -35.74 67.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 75.109999999999999 110.886 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.75 -43.31 76.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 30.309999999999999 111.093 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -51.61 -52.32 48.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 73.219999999999999 110.904 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.69 -29.34 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 60.240000000000002 111.075 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.1 -23.28 66.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 71.530000000000001 110.85 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -73.35 -6.58 47.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 71.329999999999998 110.846 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -108.86 -25.3 10.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 61.43 110.909 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -176.11 -173.16 0.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 74.25 110.889 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.75 95.13 5.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 62.229999999999997 111.12 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pt -133.2 102.07 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 74.430000000000007 111.115 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.17 105.22 13.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 73.420000000000002 110.919 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -122.89 101.69 7.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 74.439999999999998 110.86 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -74.69 -42.39 58.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 73.299999999999997 110.83 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -71.9 -48.9 42.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 75.209999999999994 110.899 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 tp -61.24 -38.16 85.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 73.340000000000003 110.975 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.606 ' O ' HD22 ' A' ' 38' ' ' LEU . 1.0 OUTLIER -62.72 -48.77 77.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 73.239999999999995 110.889 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.505 ' N ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -62.65 -51.68 66.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 73.530000000000001 110.96 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -52.22 65.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 52.030000000000001 110.939 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.1 mm -61.87 -32.36 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.319999999999993 111.148 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -60.62 -50.09 74.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 74.439999999999998 110.842 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -71.79 -32.86 68.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 71.540000000000006 110.904 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 m -68.39 -50.62 51.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 73.319999999999993 110.812 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.6 mt -66.15 -34.17 68.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 72.329999999999998 111.105 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.668 ' HA ' HG23 ' A' ' 53' ' ' ILE . 8.2 t0 -84.46 120.76 26.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 72.299999999999997 110.891 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.05 -40.74 95.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 73.430000000000007 111.103 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.4 p30 -108.56 -16.14 14.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 71.409999999999997 110.884 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.427 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.5 33.11 70.29 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 61.340000000000003 112.493 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.423 ' C ' ' H ' ' A' ' 52' ' ' GLU . 37.6 p-10 -85.65 79.72 9.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.879 0.371 . . . . 74.349999999999994 110.895 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.63 -45.41 0.38 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 45.020000000000003 112.488 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.592 ' OE1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -152.04 165.49 34.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 64.109999999999999 110.929 -179.85 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.757 HD12 ' O ' ' A' ' 17' ' ' VAL . 1.3 mp -94.15 124.55 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 61.130000000000003 111.111 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -76.81 159.41 30.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 52.399999999999999 110.823 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -53.85 -45.07 70.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 74.439999999999998 110.98 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -58.19 -50.4 73.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 70.310000000000002 110.884 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -59.38 -43.88 92.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 71.349999999999994 110.902 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -63.84 -41.69 97.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 73.310000000000002 110.886 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.8 -51.86 67.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 73.140000000000001 111.064 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -66.02 -25.15 66.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 74.310000000000002 110.922 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 60.350000000000001 110.867 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.865 0.364 . . . . 72.230000000000004 110.958 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.48 -25.24 15.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 75.030000000000001 111.134 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mt -63.12 -37.7 88.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.420000000000002 110.942 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -62.78 -48.18 80.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 72.430000000000007 110.889 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -74.8 -27.01 60.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 73.219999999999999 110.894 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.44 -45.15 80.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 74.209999999999994 110.869 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.62 -28.49 40.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 73.010000000000005 111.104 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -73.6 75.61 1.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 75.129999999999995 110.85 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 t -61.52 -17.5 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 71.439999999999998 111.114 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -82.61 -1.42 50.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 74.310000000000002 110.907 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.72 42.1 27.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 70.239999999999995 112.434 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 p30 -98.98 -17.0 18.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.835 0.35 . . . . 75.540000000000006 110.84 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.01 17.82 68.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 70.010000000000005 112.416 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.583 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -135.32 140.55 45.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 51.43 111.082 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.768 ' O ' HD12 ' A' ' 53' ' ' ILE . 13.1 t -124.15 111.63 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 73.040000000000006 111.116 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.478 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -86.45 176.52 7.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 75.310000000000002 110.82 -179.872 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.677 ' HB2' HD11 ' A' ' 38' ' ' LEU . 38.9 p90 -47.85 -45.59 30.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.05 -0.523 . . . . 71.439999999999998 110.96 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.67 -48.35 81.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 73.439999999999998 110.937 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.689 ' HB3' HG13 ' A' ' 17' ' ' VAL . 1.1 mt-10 -56.31 -40.29 74.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 70.519999999999996 110.883 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.463 HG23 HG12 ' A' ' 17' ' ' VAL . 41.6 t -62.29 -55.2 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 63.200000000000003 111.117 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -35.83 65.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 73.239999999999995 110.874 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.49 -42.36 78.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 54.25 111.087 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -51.51 -51.83 51.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 63.100000000000001 110.926 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.84 -29.32 40.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 70.400000000000006 111.167 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.01 -23.94 64.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 62.329999999999998 110.844 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -8.09 54.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 73.120000000000005 110.886 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -106.4 -26.65 11.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 72.329999999999998 110.881 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -176.25 -173.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 75.150000000000006 110.825 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.7 94.88 4.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 65.129999999999995 111.121 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.1 mm -133.06 102.32 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 64.25 111.175 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.99 105.17 12.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 74.400000000000006 110.891 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -123.5 101.61 7.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 75.439999999999998 110.808 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.61 -42.61 58.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 62.119999999999997 110.865 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -49.32 35.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 71.519999999999996 110.889 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tp -60.59 -39.14 86.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 52.009999999999998 110.917 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.677 HD11 ' HB2' ' A' ' 19' ' ' TYR . 2.0 tm? -62.86 -46.84 86.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 51.149999999999999 110.893 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.21 -51.98 64.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 75.430000000000007 110.916 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.45 -52.03 66.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 54.240000000000002 110.911 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.5 mm -60.93 -33.28 54.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 64.030000000000001 111.115 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -60.32 -50.31 74.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 63.130000000000003 110.858 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -71.9 -29.39 64.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 73.140000000000001 110.919 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.44 -51.1 31.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 75.25 110.838 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.731 HG23 ' CE2' ' A' ' 61' ' ' PHE . 70.7 mt -66.52 -37.87 80.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 71.409999999999997 111.112 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.598 ' HA ' HG23 ' A' ' 53' ' ' ILE . 8.6 t0 -77.8 121.51 24.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 75.409999999999997 110.886 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.42 -42.2 98.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 74.409999999999997 111.009 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.5 p30 -108.35 -16.52 14.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.419 . . . . 72.230000000000004 110.826 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.423 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.63 32.87 70.16 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 72.129999999999995 112.498 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.3 p-10 -85.52 79.63 9.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 63.219999999999999 110.894 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.86 -45.38 0.41 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.667 -0.777 . . . . 74.230000000000004 112.415 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.583 ' OE1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -152.57 165.54 34.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 72.310000000000002 110.941 -179.866 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.768 HD12 ' O ' ' A' ' 17' ' ' VAL . 1.1 mp -95.47 124.74 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 74.140000000000001 111.153 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.22 159.0 31.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 62.140000000000001 110.861 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -53.75 -45.7 70.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 74.540000000000006 110.945 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -58.62 -49.03 78.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 63.109999999999999 110.838 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -58.41 -40.64 83.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 62.020000000000003 110.894 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -64.94 -42.12 94.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 63.130000000000003 110.875 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.62 -52.12 65.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 55.299999999999997 111.103 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -66.56 -24.61 66.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 71.5 110.892 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.731 ' CE2' HG23 ' A' ' 45' ' ' ILE . 6.8 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 74.239999999999995 110.89 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.815 0.34 . . . . 65.439999999999998 110.841 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.67 -25.12 16.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 65.5 111.107 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.81 -39.22 93.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 74.120000000000005 110.928 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.403 ' CE2' HG23 ' A' ' 17' ' ' VAL . 2.7 t80 -63.46 -47.11 83.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 73.540000000000006 110.873 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.35 -26.8 61.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 71.200000000000003 110.955 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.9 -42.29 77.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 74.540000000000006 110.862 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.0 mm -68.0 -23.51 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.492 . . . . 73.349999999999994 111.128 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -73.69 75.36 1.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 75.099999999999994 110.828 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.6 t -61.3 -17.5 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 71.239999999999995 111.191 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -88.24 -1.05 57.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 72.430000000000007 110.977 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.48 47.26 44.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 44.219999999999999 112.449 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -105.53 -15.65 14.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.861 0.363 . . . . 64.530000000000001 110.877 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.44 16.46 67.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 61.549999999999997 112.46 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.583 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -134.34 136.89 43.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.809 0.338 . . . . 54.420000000000002 111.111 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.858 HG13 ' HB3' ' A' ' 21' ' ' GLU . 53.6 t -124.73 112.17 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 70.400000000000006 111.087 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.481 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -83.46 175.78 9.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 62.420000000000002 110.832 -179.818 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -49.1 -46.21 44.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 75.099999999999994 110.915 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.2 -49.5 77.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.072 -0.513 . . . . 54.130000000000003 110.892 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.858 ' HB3' HG13 ' A' ' 17' ' ' VAL . 3.8 mt-10 -56.61 -38.04 71.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 63.299999999999997 110.91 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.486 HG23 HG12 ' A' ' 17' ' ' VAL . 54.4 t -63.8 -54.88 26.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 72.239999999999995 111.148 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.459 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -55.0 -37.76 66.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 71.120000000000005 110.852 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.04 -41.5 81.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 61.439999999999998 111.148 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -52.07 -51.83 55.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 75.409999999999997 110.887 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.02 -29.51 40.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 72.319999999999993 111.096 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -22.8 67.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 54.229999999999997 110.837 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -72.61 -7.72 51.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 74.340000000000003 110.849 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -108.18 -21.89 12.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 74.239999999999995 110.913 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -175.99 -173.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 70.310000000000002 110.809 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.93 94.83 4.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 73.310000000000002 111.127 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pt -133.45 102.14 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 74.549999999999997 111.096 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.1 104.59 13.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 75.319999999999993 110.884 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.548 ' CG ' HD12 ' A' ' 37' ' ' LEU . 34.6 m120 -123.69 101.56 7.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 73.319999999999993 110.93 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -42.1 59.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 72.519999999999996 110.953 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -49.42 41.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 74.439999999999998 110.852 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.548 HD12 ' CG ' ' A' ' 34' ' ' ASN . 26.6 mt -61.49 -37.56 84.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 72.540000000000006 110.922 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.509 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.8 tm? -62.27 -47.72 83.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 74.409999999999997 110.921 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.5 -51.82 63.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 64.230000000000004 110.964 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.98 -51.91 67.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 75.430000000000007 110.891 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.9 mt -61.77 -32.71 54.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 71.010000000000005 111.152 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -59.99 -51.4 69.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 74.530000000000001 110.85 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -30.88 65.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 72.549999999999997 110.886 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -68.79 -49.72 56.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 71.200000000000003 110.881 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 58.2 mt -65.84 -33.94 66.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 73.219999999999999 111.102 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.662 ' HA ' HG23 ' A' ' 53' ' ' ILE . 7.8 t0 -83.32 120.74 26.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 63.140000000000001 110.896 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.428 ' HB3' ' HG2' ' A' ' 57' ' ' GLU . . . -65.31 -40.85 94.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 42.229999999999997 111.061 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.3 p-10 -108.71 -15.84 14.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 73.400000000000006 110.819 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.438 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 59.22 33.12 73.79 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.718 -0.753 . . . . 64.329999999999998 112.482 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.412 ' C ' ' H ' ' A' ' 52' ' ' GLU . 36.8 p-10 -85.12 79.73 9.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.906 0.384 . . . . 71.450000000000003 110.941 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.63 -45.69 0.39 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 74.530000000000001 112.499 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.583 ' OE1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -152.23 164.79 36.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.36 . . . . 60.329999999999998 110.889 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.783 HD12 ' O ' ' A' ' 17' ' ' VAL . 1.4 mp -91.68 118.81 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 74.349999999999994 111.141 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -76.28 159.08 30.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 70.239999999999995 110.876 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -52.95 -45.66 67.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 52.409999999999997 110.898 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -58.41 -50.07 74.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 73.510000000000005 110.912 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.428 ' HG2' ' HB3' ' A' ' 47' ' ' ALA . 25.4 mt-10 -61.4 -42.47 98.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 65.409999999999997 110.874 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -64.16 -43.56 94.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 73.340000000000003 110.875 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.9 -51.86 67.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 50.039999999999999 111.134 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -66.01 -24.92 66.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 74.340000000000003 110.931 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.2 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 62.32 110.891 179.934 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.484 ' N ' HD11 ' A' ' 5' ' ' LEU . 1.1 mpt? . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.759 0.314 . . . . 62.340000000000003 110.839 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.15 -169.71 0.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 43.5 111.118 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -89.46 -19.53 25.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 73.239999999999995 110.901 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.64 -26.32 13.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 62.229999999999997 111.122 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.484 HD11 ' N ' ' A' ' 1' ' ' MET . 5.5 mt -62.17 -37.82 86.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 64.430000000000007 110.896 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.6 ' CE2' HG22 ' A' ' 17' ' ' VAL . 4.7 t80 -61.67 -49.18 77.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 73.209999999999994 110.918 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.59 -27.0 60.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.101 -0.5 . . . . 72.140000000000001 110.842 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -65.55 -43.4 90.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 62.509999999999998 110.9 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.447 HD11 ' CE1' ' A' ' 25' ' ' PHE . 32.3 mm -68.56 -22.63 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 70.430000000000007 111.135 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.8 78.23 9.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 65.219999999999999 110.874 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.14 -16.93 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 75.340000000000003 111.119 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -83.78 -1.51 54.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 73.209999999999994 110.904 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 49.0 43.76 31.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.725 -0.75 . . . . 71.439999999999998 112.514 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.2 p30 -100.32 -15.73 17.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 60.240000000000002 110.867 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.88 10.34 77.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.679 -0.772 . . . . 74.209999999999994 112.498 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.678 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -134.65 137.75 43.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.905 0.383 . . . . 72.209999999999994 111.09 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.696 HG12 ' OE1' ' A' ' 21' ' ' GLU . 35.3 m -123.98 117.74 51.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.441 . . . . 71.540000000000006 111.115 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.509 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -83.73 177.57 8.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 54.210000000000001 110.907 -179.872 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.443 ' HB2' HD11 ' A' ' 38' ' ' LEU . 40.1 p90 -47.35 -44.8 24.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.349999999999994 110.898 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -58.48 -47.05 85.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 75.439999999999998 110.816 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.696 ' OE1' HG12 ' A' ' 17' ' ' VAL . 1.9 mm-40 -56.6 -42.57 78.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 75.049999999999997 110.886 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.4 t -61.39 -54.7 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 73.319999999999993 111.131 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.443 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -55.62 -35.14 65.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 73.040000000000006 110.937 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.07 -42.89 79.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 74.450000000000003 111.106 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.447 ' CE1' HD11 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -51.62 -52.65 45.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 63.299999999999997 110.828 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -29.6 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 75.099999999999994 111.128 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.23 -23.57 67.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 75.430000000000007 110.905 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -73.67 -6.92 49.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 73.230000000000004 110.933 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -108.32 -24.24 11.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 73.430000000000007 110.856 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -175.59 -173.8 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 71.439999999999998 110.822 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.78 95.19 5.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 71.030000000000001 111.058 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.4 mt -132.83 102.46 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 61.140000000000001 111.107 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.78 105.06 12.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 73.510000000000005 110.893 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -123.28 101.9 7.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 74.450000000000003 110.885 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -42.43 59.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 72.019999999999996 110.887 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -49.12 37.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 72.109999999999999 110.88 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tp -60.99 -38.86 87.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.310000000000002 110.891 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.508 ' O ' HD22 ' A' ' 38' ' ' LEU . 1.8 tm? -62.69 -47.94 81.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 71.340000000000003 110.916 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -51.4 64.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 74.420000000000002 110.902 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.7 -51.7 68.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 62.520000000000003 110.96 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.4 mm -62.39 -32.98 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 72.439999999999998 111.166 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -59.42 -52.41 65.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 73.540000000000006 110.853 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.0 -31.56 66.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 73.010000000000005 110.902 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 m -67.23 -50.95 58.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 75.140000000000001 110.787 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.7 mt -67.23 -28.55 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 64.200000000000003 111.085 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.652 ' HA ' HG23 ' A' ' 53' ' ' ILE . 7.9 t0 -87.23 121.5 29.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 44.140000000000001 110.875 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.09 -42.08 97.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 65.439999999999998 111.034 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.0 p30 -108.89 -16.26 14.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.243 -0.435 . . . . 72.329999999999998 110.865 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.452 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.6 33.03 70.39 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.727 -0.749 . . . . 75.340000000000003 112.481 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.2 p-10 -84.94 80.12 9.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 65.150000000000006 110.88 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.83 -45.35 0.4 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.802 -0.713 . . . . 65.420000000000002 112.534 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.678 ' OE1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -152.22 165.36 35.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 62.43 110.898 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.652 HG23 ' HA ' ' A' ' 46' ' ' ASP . 1.2 mp -94.15 124.81 46.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 65.25 111.141 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.91 159.83 29.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 65.049999999999997 110.893 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -55.79 -46.42 78.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 73.129999999999995 110.971 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.46 -48.38 80.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 54.329999999999998 110.928 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -58.22 -42.25 85.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.499 . . . . 75.310000000000002 110.861 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -63.34 -43.73 96.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 74.329999999999998 110.879 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.18 -51.61 68.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 64.140000000000001 111.067 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -24.92 66.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 65.129999999999995 110.946 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -81.27 -31.65 33.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 75.140000000000001 110.86 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -57.08 118.27 4.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 74.310000000000002 110.859 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.2 3.3 88.95 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 62.25 112.492 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.7 t 50.79 54.58 10.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 72.030000000000001 110.836 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 tt -95.53 16.64 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 73.540000000000006 111.191 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 74.200000000000003 110.901 179.947 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . 0.603 'CA ' ' O ' ' A' ' 52' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.7 mtt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.794 0.331 . . . . 73.120000000000005 110.893 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.7 115.39 20.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 55.119999999999997 111.046 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 64.63 14.64 9.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 75.120000000000005 110.907 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.26 -27.55 69.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 62.420000000000002 111.113 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mt -63.41 -35.88 81.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 45.350000000000001 110.936 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.587 ' HE2' HG22 ' A' ' 17' ' ' VAL . 4.1 t80 -62.55 -49.48 75.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 73.319999999999993 110.89 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -75.63 -26.89 58.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 64.510000000000005 110.898 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -65.82 -43.23 89.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 62.32 110.895 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.0 mm -68.36 -23.89 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 65.209999999999994 111.169 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.87 75.17 4.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 72.530000000000001 110.855 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.2 t -61.51 -18.44 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 64.040000000000006 111.105 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -82.85 -0.82 49.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 64.209999999999994 110.88 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.68 45.25 48.11 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.803 -0.713 . . . . 73.400000000000006 112.434 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.5 p30 -104.11 -15.81 15.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 74.450000000000003 110.878 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.65 12.85 64.93 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.778 -0.725 . . . . 54.520000000000003 112.563 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.702 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -134.73 138.93 44.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 72.299999999999997 111.164 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.684 ' O ' HD12 ' A' ' 53' ' ' ILE . 35.7 m -123.9 118.81 55.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 60.32 111.187 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.504 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -84.27 178.06 7.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 62.210000000000001 110.857 -179.768 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -47.04 -45.62 21.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 74.010000000000005 110.858 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -58.4 -47.56 83.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 70.400000000000006 110.916 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' OE1' HG12 ' A' ' 17' ' ' VAL . 5.8 mt-10 -56.18 -41.64 75.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 75.5 110.892 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.22 -54.89 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 73.349999999999994 111.127 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.561 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -54.65 -37.41 65.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 73.530000000000001 110.843 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.19 -40.95 86.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 73.129999999999995 111.076 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -51.82 -51.88 53.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 73.5 110.811 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.87 -29.52 40.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.148 -0.478 . . . . 64.540000000000006 111.175 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.49 -23.28 67.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 71.540000000000006 110.896 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.97 -7.26 50.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 71.420000000000002 110.857 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -107.66 -38.56 5.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 71.099999999999994 110.923 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.59 -173.44 3.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 65.319999999999993 110.863 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.91 95.22 5.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 72.109999999999999 111.097 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.45 ' O ' HG23 ' A' ' 32' ' ' ILE . 3.2 tp -133.41 102.38 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 74.349999999999994 111.17 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.93 104.98 11.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 75.010000000000005 110.918 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -123.83 101.78 7.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 72.239999999999995 110.907 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -74.62 -42.36 58.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 72.209999999999994 110.942 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -48.79 42.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 63.140000000000001 110.84 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tp -61.9 -37.54 84.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.26 -0.427 . . . . 75.340000000000003 110.887 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.561 HD23 ' HG2' ' A' ' 23' ' ' LYS . 1.7 tm? -62.58 -48.2 80.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 64.340000000000003 110.943 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.5 -51.36 65.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 74.030000000000001 110.897 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.96 -52.01 66.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 63.329999999999998 110.887 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.7 mm -61.96 -32.97 55.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.177 -0.465 . . . . 53.140000000000001 111.105 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -59.46 -52.76 64.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 74.409999999999997 110.862 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.04 -31.79 66.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 73.450000000000003 110.915 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m -66.96 -51.22 57.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 72.329999999999998 110.903 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 53.0 mt -66.56 -26.26 37.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 73.219999999999999 111.131 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.621 ' HA ' HG23 ' A' ' 53' ' ' ILE . 8.1 t0 -88.49 121.84 31.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 64.430000000000007 110.867 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.12 -43.33 98.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 63.210000000000001 111.063 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.7 p30 -108.64 -15.95 14.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 71.340000000000003 110.845 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.466 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.79 33.3 72.51 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.697 -0.763 . . . . 72.230000000000004 112.468 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -85.42 80.22 9.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 73.439999999999998 110.886 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.91 -45.65 0.42 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.811 -0.709 . . . . 63.32 112.474 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.702 ' OE1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -152.49 165.94 33.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 53.399999999999999 110.898 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.684 HD12 ' O ' ' A' ' 17' ' ' VAL . 1.2 mp -95.46 127.46 47.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 73.400000000000006 111.102 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -79.84 159.78 26.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 74.430000000000007 110.888 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -54.8 -44.81 74.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 75.219999999999999 110.95 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.79 -46.41 90.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 73.209999999999994 110.89 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -60.46 -41.39 94.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 74.230000000000004 110.848 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -64.16 -45.4 88.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 75.430000000000007 110.918 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.66 -51.68 68.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 72.439999999999998 111.08 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -65.3 -25.16 67.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 73.340000000000003 110.905 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -80.42 -33.03 37.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 74.530000000000001 110.88 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -60.78 118.22 6.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.142 -0.481 . . . . 71.409999999999997 110.93 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.84 3.64 90.46 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.783 -0.723 . . . . 75.400000000000006 112.51 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.3 t -93.99 27.27 2.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 44.32 110.873 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.437 HG22 ' O ' ' A' ' 65' ' ' ILE . 6.1 mt -92.51 16.57 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.051 -0.522 . . . . 51.310000000000002 111.096 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 72.430000000000007 110.923 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . 0.609 'CA ' ' O ' ' A' ' 52' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 mtp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.743 0.306 . . . . 72.439999999999998 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.77 -68.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 75.349999999999994 111.167 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.41 -22.13 22.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 75.040000000000006 110.952 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.48 -26.49 13.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 61.219999999999999 111.023 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mt -61.85 -38.04 86.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 55.130000000000003 110.912 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.646 ' CE2' HG22 ' A' ' 17' ' ' VAL . 3.4 t80 -61.23 -48.86 79.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 63.100000000000001 110.868 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -26.82 59.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 73.510000000000005 110.899 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -65.82 -42.0 91.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 73.129999999999995 110.853 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.56 HD11 ' CE1' ' A' ' 25' ' ' PHE . 27.8 mm -68.29 -22.83 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 71.409999999999997 111.154 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.51 77.2 8.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 110.894 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.9 t -64.08 -15.33 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 74.129999999999995 111.136 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -82.75 -0.81 49.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 75.209999999999994 110.939 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.43 46.68 45.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.64 -0.791 . . . . 51.420000000000002 112.506 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.5 p30 -107.86 -15.99 14.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 71.530000000000001 110.85 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.24 11.41 75.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 30.32 112.487 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.689 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -134.88 137.45 43.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 73.150000000000006 111.069 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.646 HG22 ' CE2' ' A' ' 6' ' ' PHE . 31.0 m -123.95 118.45 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 74.450000000000003 111.068 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.524 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -82.57 177.39 8.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 54.030000000000001 110.876 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.406 ' HB2' HD11 ' A' ' 38' ' ' LEU . 37.9 p90 -47.75 -45.64 29.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 73.209999999999994 110.935 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -46.57 83.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 65.540000000000006 110.913 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.518 ' OE1' HG12 ' A' ' 17' ' ' VAL . 6.7 mt-10 -57.09 -41.71 79.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 75.409999999999997 110.914 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 65.6 t -61.79 -54.7 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 71.340000000000003 111.136 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.584 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -55.96 -35.24 66.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 75.439999999999998 110.906 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.38 -42.56 78.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 73.439999999999998 111.091 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CE1' HD11 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -51.84 -52.51 48.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 71.140000000000001 110.869 -179.898 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.36 -29.59 42.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.102 -0.499 . . . . 74.140000000000001 111.16 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -64.05 -23.55 67.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 75.239999999999995 110.881 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -73.53 -7.17 50.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 74.109999999999999 110.9 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -108.34 -23.08 12.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 75.400000000000006 110.883 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -175.55 -174.01 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 72.0 110.849 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.74 95.14 5.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 63.109999999999999 111.132 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pt -132.9 102.22 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 75.219999999999999 111.085 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.49 104.85 13.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 64.430000000000007 110.937 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -123.42 102.01 7.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 70.299999999999997 110.895 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.26 -42.52 59.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.115 -0.493 . . . . 74.120000000000005 110.878 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -72.19 -48.8 40.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 73.109999999999999 110.965 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.13 -38.91 88.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 74.409999999999997 110.939 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.584 HD23 ' HG2' ' A' ' 23' ' ' LYS . 1.8 tm? -62.75 -48.0 81.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 55.109999999999999 110.927 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -51.44 64.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 74.340000000000003 110.894 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.72 -51.85 67.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 72.310000000000002 110.867 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.4 mm -62.11 -33.17 57.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 73.310000000000002 111.217 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -59.17 -52.05 67.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 74.420000000000002 110.952 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.21 -31.33 65.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 72.120000000000005 110.908 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.0 m -67.38 -50.68 58.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 72.319999999999993 110.858 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 59.1 mt -66.44 -34.79 72.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 64.239999999999995 111.153 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.671 ' HA ' HG23 ' A' ' 53' ' ' ILE . 7.3 t0 -81.19 120.6 25.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 74.319999999999993 110.84 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.429 ' HB3' ' HG2' ' A' ' 57' ' ' GLU . . . -64.92 -40.78 95.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 71.430000000000007 111.159 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.3 p30 -109.01 -16.49 14.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 64.140000000000001 110.853 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.456 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.38 33.04 69.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 62.329999999999998 112.462 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.411 ' C ' ' H ' ' A' ' 52' ' ' GLU . 37.6 p-10 -84.91 80.35 9.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 75.439999999999998 110.941 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.9 -45.61 0.42 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.827 -0.702 . . . . 51.43 112.44 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.689 ' OE1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -152.07 164.79 36.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 74.319999999999993 110.868 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.671 HG23 ' HA ' ' A' ' 46' ' ' ASP . 1.3 mp -92.29 120.25 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 73.120000000000005 111.169 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.05 159.68 28.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 74.319999999999993 110.883 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -53.89 -46.26 71.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 74.310000000000002 110.908 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.29 -50.16 74.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.430000000000007 110.922 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.429 ' HG2' ' HB3' ' A' ' 47' ' ' ALA . 25.1 mt-10 -60.11 -41.86 93.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 70.129999999999995 110.901 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -62.59 -44.71 95.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 73.400000000000006 110.879 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.47 -51.61 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 73.299999999999997 111.179 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -25.12 67.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 63.119999999999997 110.902 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -79.15 -34.12 43.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 72.310000000000002 110.902 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -61.21 118.19 6.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 74.510000000000005 110.911 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.05 3.59 90.52 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.725 -0.75 . . . . 74.25 112.544 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.1 t -93.8 24.76 3.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 65.329999999999998 110.838 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.478 ' H ' HD12 ' A' ' 65' ' ' ILE . 1.8 mp -92.48 16.52 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 72.239999999999995 111.152 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 65.150000000000006 110.864 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . 0.603 'CA ' ' O ' ' A' ' 52' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.8 mtm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.778 0.323 . . . . 63.119999999999997 110.903 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.17 -70.67 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 74.140000000000001 111.087 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.0 pm0 -111.62 -22.03 11.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 72.230000000000004 110.833 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.25 -26.59 12.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 65.319999999999993 111.083 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 mt -61.61 -39.59 91.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 72.299999999999997 110.859 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.401 ' CE2' HG23 ' A' ' 17' ' ' VAL . 2.7 t80 -61.55 -47.22 86.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 74.109999999999999 110.919 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -74.15 -26.9 60.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 73.209999999999994 110.889 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -66.97 -41.67 86.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 61.310000000000002 110.872 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.9 mm -68.35 -23.62 28.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 75.530000000000001 111.1 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.764 ' OD1' 'CA ' ' A' ' 101' ' ' ' CA' . 2.8 m-20 -78.42 77.2 4.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 50.149999999999999 110.893 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.08 -20.65 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 61.240000000000002 111.094 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -82.97 -0.98 51.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 63.219999999999999 110.874 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.03 45.89 41.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 62.32 112.53 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.9 p30 -104.01 -16.58 15.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 72.409999999999997 110.904 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.85 19.82 71.86 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.741 -0.742 . . . . 65.209999999999994 112.504 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.578 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -133.68 135.73 44.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.335 . . . . 62.299999999999997 111.143 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.851 HG13 ' HB3' ' A' ' 21' ' ' GLU . 54.0 t -124.11 113.14 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 63.210000000000001 111.139 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.493 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -84.86 175.78 8.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 44.329999999999998 110.891 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.624 ' HB2' HD11 ' A' ' 38' ' ' LEU . 38.7 p90 -49.35 -45.86 46.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 74.540000000000006 110.867 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.87 -48.29 82.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 73.239999999999995 110.939 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.851 ' HB3' HG13 ' A' ' 17' ' ' VAL . 1.1 mt-10 -57.52 -36.77 72.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 72.239999999999995 110.859 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.451 HG23 HG12 ' A' ' 17' ' ' VAL . 54.9 t -65.19 -54.92 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 75.219999999999999 111.161 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -37.49 68.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 74.349999999999994 110.846 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.9 -42.25 77.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 64.530000000000001 111.158 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -51.91 -51.67 55.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 62.420000000000002 110.85 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.51 -29.5 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 71.329999999999998 111.15 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.99 -23.8 63.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 72.340000000000003 110.862 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -72.91 -8.29 54.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 74.129999999999995 110.879 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -106.5 -24.81 12.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 73.420000000000002 110.903 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -175.87 -173.69 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 64.140000000000001 110.895 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.78 95.07 5.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 70.510000000000005 111.144 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pt -133.31 102.02 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 45.509999999999998 111.135 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.95 104.52 14.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 74.239999999999995 110.946 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -123.55 101.42 7.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 64.25 110.87 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.77 -42.71 57.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 73.040000000000006 110.856 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.32 -49.22 36.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 73.310000000000002 110.929 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 tp -60.83 -38.81 86.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 73.150000000000006 110.878 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.624 HD11 ' HB2' ' A' ' 19' ' ' TYR . 1.9 tm? -63.07 -47.33 83.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 62.240000000000002 110.955 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -51.78 65.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 70.420000000000002 110.945 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.34 -52.02 66.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 74.010000000000005 110.975 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.9 mm -61.07 -34.14 58.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 64.340000000000003 111.077 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -59.27 -51.3 70.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 75.150000000000006 110.925 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.16 -29.41 63.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 75.439999999999998 110.872 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.39 -51.03 40.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 62.509999999999998 110.887 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.722 HG23 ' CE2' ' A' ' 61' ' ' PHE . 69.9 mt -66.8 -40.62 86.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 74.129999999999995 111.139 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.647 ' HA ' HG23 ' A' ' 53' ' ' ILE . 7.9 t0 -73.98 121.12 20.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 53.049999999999997 110.854 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.409 ' HB3' ' HG2' ' A' ' 57' ' ' GLU . . . -63.84 -42.41 97.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 61.409999999999997 111.131 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.6 p30 -108.35 -16.23 14.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 61.210000000000001 110.911 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.46 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.52 33.01 69.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.811 -0.709 . . . . 51.32 112.501 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.42 ' C ' ' H ' ' A' ' 52' ' ' GLU . 38.2 p-10 -85.15 79.99 9.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 71.230000000000004 110.936 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.91 -45.31 0.41 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.739 . . . . 61.409999999999997 112.509 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.621 ' O ' 'CA ' ' A' ' 102' ' ' ' CA' . 0.0 OUTLIER -152.67 165.49 35.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 70.25 110.847 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.743 HD12 ' O ' ' A' ' 17' ' ' VAL . 1.2 mp -94.51 123.7 46.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.499 . . . . 74.409999999999997 111.093 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.57 159.02 30.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 73.430000000000007 110.79 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -53.25 -44.13 67.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 62.119999999999997 110.94 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -58.3 -50.07 74.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 73.420000000000002 110.878 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.409 ' HG2' ' HB3' ' A' ' 47' ' ' ALA . 48.1 mt-10 -60.49 -43.76 96.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 75.439999999999998 110.899 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -64.19 -40.8 96.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 75.420000000000002 110.867 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.82 -51.94 67.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 74.540000000000006 111.156 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -65.78 -24.91 67.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 64.209999999999994 110.971 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.722 ' CE2' HG23 ' A' ' 45' ' ' ILE . 3.5 t80 -80.57 -35.59 34.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 74.140000000000001 110.877 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -61.81 118.6 7.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 73.129999999999995 110.951 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.2 3.53 90.16 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.721 -0.752 . . . . 23.309999999999999 112.483 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.5 t -93.94 25.83 3.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 71.209999999999994 110.873 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.1 tt -92.3 16.52 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.09 -0.505 . . . . 75.239999999999995 111.153 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 64.140000000000001 110.948 179.915 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . 0.764 'CA ' ' OD1' ' A' ' 10' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . 0.621 'CA ' ' O ' ' A' ' 52' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.735 0.303 . . . . 74.349999999999994 110.832 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.691 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -129.63 -71.47 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 74.430000000000007 111.125 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.18 -21.76 14.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 72.140000000000001 110.908 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.0 -27.33 13.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 72.400000000000006 111.105 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 mt -60.64 -39.78 89.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 73.340000000000003 110.932 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 3.3 t80 -62.39 -48.03 81.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 71.239999999999995 110.897 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.2 -26.85 62.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 62.409999999999997 110.89 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -68.26 -42.11 80.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 62.140000000000001 110.831 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.8 mm -68.39 -24.09 29.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 73.340000000000003 111.153 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -76.03 75.37 2.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 75.319999999999993 110.893 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.3 -21.84 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 73.340000000000003 111.105 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -83.0 -0.97 51.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 71.450000000000003 110.89 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.22 46.24 43.5 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 53.009999999999998 112.552 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.7 p30 -104.9 -16.81 14.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 54.229999999999997 110.838 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.5 19.34 72.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.745 -0.741 . . . . 64.0 112.526 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.581 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -133.98 135.37 43.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.775 0.321 . . . . 73.0 111.124 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.852 HG13 ' HB3' ' A' ' 21' ' ' GLU . 54.5 t -124.31 113.2 35.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 62.049999999999997 111.131 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.486 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -84.49 175.8 9.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 44.43 110.886 -179.844 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.414 ' HB2' HD11 ' A' ' 38' ' ' LEU . 39.0 p90 -49.4 -46.03 46.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.118 -0.492 . . . . 75.230000000000004 110.887 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.67 -48.58 81.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 72.209999999999994 110.888 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.852 ' HB3' HG13 ' A' ' 17' ' ' VAL . 1.4 mt-10 -57.36 -36.4 71.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 74.140000000000001 110.884 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.445 HG23 HG12 ' A' ' 17' ' ' VAL . 53.2 t -65.44 -55.06 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 72.099999999999994 111.159 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -38.03 67.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 63.439999999999998 110.909 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.58 -41.8 79.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 72.230000000000004 111.115 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -51.82 -51.72 54.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 71.219999999999999 110.866 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.68 -29.47 41.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 73.109999999999999 111.119 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.17 -23.55 64.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 73.200000000000003 110.871 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -8.44 55.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 75.310000000000002 110.871 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -106.02 -24.89 12.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.445 . . . . 55.520000000000003 110.828 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -176.24 -173.91 0.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 64.439999999999998 110.815 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.74 95.02 5.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 60.240000000000002 111.128 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.9 mt -133.15 102.23 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 61.009999999999998 111.119 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.79 104.96 13.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 74.450000000000003 110.888 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -123.37 101.49 7.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 75.140000000000001 110.893 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -42.64 58.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 64.340000000000003 110.924 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -49.05 38.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 64.049999999999997 110.901 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tp -60.95 -38.35 85.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 54.049999999999997 110.962 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.517 ' O ' HD22 ' A' ' 38' ' ' LEU . 1.7 tm? -62.82 -47.56 82.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 71.129999999999995 110.976 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -51.68 65.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 73.120000000000005 110.938 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.56 -51.94 66.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 72.120000000000005 110.912 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.3 mm -61.29 -32.38 52.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 71.430000000000007 111.194 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -60.97 -51.4 69.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 72.329999999999998 110.872 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -30.16 64.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 73.219999999999999 110.901 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.9 m -70.05 -50.35 42.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 64.450000000000003 110.845 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.7 mt -66.08 -32.66 59.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 73.150000000000006 111.115 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.665 ' HA ' HG23 ' A' ' 53' ' ' ILE . 7.9 t0 -83.65 120.73 26.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 74.230000000000004 110.879 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.433 ' HB3' ' HG2' ' A' ' 57' ' ' GLU . . . -64.69 -41.62 95.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 72.420000000000002 111.136 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.8 p30 -108.3 -15.93 14.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 55.140000000000001 110.871 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.448 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 59.13 33.11 73.24 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.692 -0.766 . . . . 73.219999999999999 112.531 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.416 ' C ' ' H ' ' A' ' 52' ' ' GLU . 38.7 p-10 -86.02 79.86 9.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 72.430000000000007 110.86 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.77 -45.51 0.4 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 60.149999999999999 112.458 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.609 ' O ' 'CA ' ' A' ' 102' ' ' ' CA' . 0.0 OUTLIER -152.5 165.55 34.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.815 0.341 . . . . 73.420000000000002 110.849 -179.796 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.768 HD12 ' O ' ' A' ' 17' ' ' VAL . 1.3 mp -93.37 123.86 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 74.329999999999998 111.126 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -76.69 159.4 30.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 74.109999999999999 110.856 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -53.81 -44.98 70.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 53.450000000000003 110.976 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -49.97 75.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 71.129999999999995 110.854 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.433 ' HG2' ' HB3' ' A' ' 47' ' ' ALA . 50.2 mt-10 -59.76 -43.38 94.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 73.120000000000005 110.869 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -63.96 -41.73 97.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 72.430000000000007 110.908 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.28 -51.77 68.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 31.239999999999998 111.116 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -66.33 -24.82 66.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 74.420000000000002 110.914 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -80.47 -33.8 36.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 72.439999999999998 110.89 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.691 ' CE2' ' HB1' ' A' ' 2' ' ' ALA . 51.8 t80 -64.57 118.63 9.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 70.030000000000001 110.964 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.9 3.49 89.23 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.78 -0.724 . . . . 64.109999999999999 112.486 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.2 t -93.71 25.03 3.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.737 0.304 . . . . 71.329999999999998 110.781 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.436 HG22 ' O ' ' A' ' 65' ' ' ILE . 6.1 mt -92.55 16.53 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 72.519999999999996 111.162 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 60.299999999999997 110.952 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . 0.609 'CA ' ' O ' ' A' ' 52' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.4 ' HB2' HD21 ' A' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.776 0.322 . . . . 74.230000000000004 110.819 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.86 -68.72 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 52.399999999999999 111.064 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -91.23 -23.42 20.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 74.209999999999994 110.905 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.11 -26.96 12.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 74.049999999999997 111.113 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.4 HD21 ' HB2' ' A' ' 1' ' ' MET . 5.3 mt -61.42 -37.83 84.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.442 . . . . 71.409999999999997 110.973 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.638 ' CE2' HG22 ' A' ' 17' ' ' VAL . 3.4 t80 -60.61 -49.18 78.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 75.340000000000003 110.893 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -26.71 58.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 71.129999999999995 110.943 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -65.56 -41.12 93.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 75.209999999999994 110.869 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.437 HD11 ' CE1' ' A' ' 25' ' ' PHE . 34.6 mm -68.3 -23.82 28.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 33.140000000000001 111.13 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.796 ' OD1' 'CA ' ' A' ' 101' ' ' ' CA' . 4.6 m-20 -79.43 75.09 6.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 73.239999999999995 110.942 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.1 t -61.42 -19.27 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 74.329999999999998 111.067 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -82.91 -0.55 48.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 62.100000000000001 110.921 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.53 46.37 53.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 73.510000000000005 112.537 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -102.76 -15.69 16.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.849 0.357 . . . . 62.119999999999997 110.825 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.45 8.92 67.65 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.751 -0.738 . . . . 52.310000000000002 112.502 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.697 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -134.28 139.44 45.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 63.43 111.09 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.699 HG12 ' OE1' ' A' ' 21' ' ' GLU . 35.5 m -124.05 117.12 49.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 71.25 111.14 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.517 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -82.75 177.47 8.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 65.099999999999994 110.825 -179.847 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.413 ' HB2' HD11 ' A' ' 38' ' ' LEU . 39.4 p90 -47.47 -45.4 26.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 72.439999999999998 110.971 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.52 -46.58 83.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 71.540000000000006 110.971 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.699 ' OE1' HG12 ' A' ' 17' ' ' VAL . 2.2 mm-40 -56.75 -41.57 77.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 72.420000000000002 110.943 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.2 t -61.67 -55.05 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 74.319999999999993 111.056 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.569 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -56.12 -34.67 66.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 75.430000000000007 110.875 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.34 -43.12 78.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 75.329999999999998 111.05 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.437 ' CE1' HD11 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -51.48 -52.57 45.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 72.519999999999996 110.848 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.54 -29.45 41.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 73.099999999999994 111.123 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.48 -23.43 67.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 70.019999999999996 110.819 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -73.46 -7.36 51.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 72.239999999999995 110.867 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -108.56 -22.39 12.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 70.540000000000006 110.944 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -176.22 -173.81 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 74.239999999999995 110.905 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.52 95.08 5.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 63.409999999999997 111.162 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.452 HG22 ' ND2' ' A' ' 34' ' ' ASN . 40.0 mm -133.17 102.3 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 61.310000000000002 111.102 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.78 105.17 13.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 64.120000000000005 110.917 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.452 ' ND2' HG22 ' A' ' 32' ' ' ILE . 1.6 m-80 -123.1 101.7 7.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 72.209999999999994 110.902 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -41.48 60.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 73.209999999999994 110.894 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -50.98 24.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 75.099999999999994 110.882 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.403 ' HB3' ' HB3' ' A' ' 34' ' ' ASN . 8.7 tp -60.07 -38.9 84.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.294 -0.412 . . . . 61.530000000000001 110.889 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.569 HD23 ' HG2' ' A' ' 23' ' ' LYS . 1.7 tm? -62.05 -47.94 82.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 74.319999999999993 110.968 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -51.72 64.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 70.310000000000002 110.86 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.83 -51.86 67.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 64.430000000000007 110.926 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.3 mm -61.76 -33.26 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 61.119999999999997 111.153 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -59.33 -52.14 66.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 73.340000000000003 110.868 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -72.27 -31.03 65.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.479 . . . . 74.310000000000002 110.877 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.3 m -67.74 -50.99 54.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 73.540000000000006 110.855 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 57.4 mt -66.52 -32.78 59.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 74.450000000000003 111.169 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.672 ' HA ' HG23 ' A' ' 53' ' ' ILE . 7.5 t0 -83.21 121.06 26.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 74.219999999999999 110.888 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.446 ' HB3' ' HG2' ' A' ' 57' ' ' GLU . . . -64.34 -41.49 96.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 71.540000000000006 111.057 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.8 p-10 -109.11 -16.37 14.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.302 -0.408 . . . . 72.510000000000005 110.857 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.454 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.82 32.92 71.06 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.73 -0.748 . . . . 62.539999999999999 112.544 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.414 ' C ' ' H ' ' A' ' 52' ' ' GLU . 35.8 p-10 -84.25 80.06 9.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.809 0.338 . . . . 63.219999999999999 110.856 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.76 -45.67 0.4 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.75 -0.738 . . . . 64.340000000000003 112.523 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.697 ' OE1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -151.83 165.15 35.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.322 . . . . 75.230000000000004 110.933 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 17' ' ' VAL . 1.3 mp -93.51 122.23 44.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 74.0 111.132 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -80.44 159.7 25.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 73.510000000000005 110.884 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -53.08 -46.16 68.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 74.099999999999994 110.925 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -58.35 -50.2 74.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 73.430000000000007 110.917 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.446 ' HG2' ' HB3' ' A' ' 47' ' ' ALA . 35.4 mt-10 -60.29 -41.91 94.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 52.310000000000002 110.942 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -62.59 -43.92 97.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 54.130000000000003 110.913 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.23 -51.58 68.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 72.340000000000003 111.089 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -63.99 -25.14 68.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 71.430000000000007 110.928 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -79.05 -35.32 42.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 71.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -59.45 118.29 5.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 73.230000000000004 110.89 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.65 3.55 90.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 44.329999999999998 112.495 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.1 t -93.83 25.59 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 74.439999999999998 110.83 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 65' ' ' ILE . 1.7 mp -92.45 16.59 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 74.329999999999998 111.145 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 70.25 110.873 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . 0.796 'CA ' ' OD1' ' A' ' 10' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.835 0.35 . . . . 72.329999999999998 110.84 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.78 25.01 6.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 51.210000000000001 111.105 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -114.89 -20.03 10.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 72.030000000000001 110.871 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.74 -26.31 13.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 70.439999999999998 111.116 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mt -62.33 -37.34 85.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 63.229999999999997 110.898 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.579 ' HE2' HG22 ' A' ' 17' ' ' VAL . 3.5 t80 -61.72 -48.83 78.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 74.219999999999999 110.849 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -75.41 -27.07 58.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 75.549999999999997 110.926 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -65.86 -42.39 90.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 73.140000000000001 110.859 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.7 mm -68.37 -24.15 29.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 75.319999999999993 111.067 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.771 ' OD1' 'CA ' ' A' ' 101' ' ' ' CA' . 6.1 m-20 -77.26 75.1 3.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 73.329999999999998 110.877 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.2 t -62.13 -18.92 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 74.109999999999999 111.04 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -82.86 -0.47 48.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.462 . . . . 74.409999999999997 110.894 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.12 46.48 50.86 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.721 -0.752 . . . . 72.209999999999994 112.457 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.2 p30 -105.93 -15.58 14.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 74.099999999999994 110.875 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.86 12.72 65.23 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.669 -0.777 . . . . 71.019999999999996 112.501 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.701 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -134.94 139.92 45.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.846 0.355 . . . . 64.209999999999994 111.079 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.609 ' O ' HD12 ' A' ' 53' ' ' ILE . 28.0 m -123.57 119.98 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 74.120000000000005 111.123 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.509 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -84.75 177.77 7.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 73.120000000000005 110.83 -179.825 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.765 ' HB2' HD11 ' A' ' 38' ' ' LEU . 39.7 p90 -47.04 -45.06 21.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 63.439999999999998 110.889 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.89 -48.35 81.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 70.510000000000005 110.897 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.454 ' OE1' HG12 ' A' ' 17' ' ' VAL . 6.4 mt-10 -55.49 -42.09 73.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 65.540000000000006 110.857 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.8 t -61.3 -54.81 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 74.510000000000005 111.114 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -36.27 64.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 64.109999999999999 110.912 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.53 -41.94 83.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 61.0 111.093 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -51.7 -52.12 50.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 63.32 110.888 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.18 -29.4 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 61.32 111.126 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -63.7 -23.27 67.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 73.140000000000001 110.899 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -73.4 -6.61 47.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 73.230000000000004 110.934 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -109.71 -23.05 11.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 74.400000000000006 110.9 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -175.48 -173.5 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 75.129999999999995 110.899 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.89 94.93 4.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 54.43 111.082 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pt -133.6 102.16 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 44.130000000000003 111.141 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 104.97 14.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 73.530000000000001 110.955 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -123.66 101.25 7.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 71.510000000000005 110.897 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.89 -43.31 55.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 75.140000000000001 110.874 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -50.04 32.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 65.010000000000005 110.917 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 tp -59.22 -43.43 92.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 72.310000000000002 110.935 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.765 HD11 ' HB2' ' A' ' 19' ' ' TYR . 2.3 tm? -59.27 -45.17 91.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 73.540000000000006 110.895 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -51.89 66.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 72.230000000000004 110.948 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.65 -52.53 63.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 60.310000000000002 110.943 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.21 -31.65 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 74.400000000000006 111.151 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.413 ' HA ' HG22 ' A' ' 45' ' ' ILE . 51.2 t80 -66.39 -37.83 86.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 73.530000000000001 110.944 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -73.54 -41.38 63.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 72.420000000000002 110.873 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.83 -42.25 64.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 73.230000000000004 110.84 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.413 HG22 ' HA ' ' A' ' 42' ' ' PHE . 1.2 tt -65.78 -30.73 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 73.400000000000006 111.088 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.576 ' HA ' HG23 ' A' ' 53' ' ' ILE . 8.8 t0 -92.85 122.03 34.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 73.430000000000007 110.903 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.6 -44.1 97.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 55.140000000000001 111.113 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.7 p30 -108.36 -16.72 14.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 74.209999999999994 110.857 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.461 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.48 32.99 69.75 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.74 -0.743 . . . . 15.4 112.538 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.755 ' OD1' 'CA ' ' A' ' 102' ' ' ' CA' . 39.2 p-10 -86.66 80.5 8.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.947 0.403 . . . . 72.219999999999999 110.929 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.13 -45.3 0.44 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.733 -0.746 . . . . 33.329999999999998 112.462 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.701 ' OE1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -152.59 166.33 32.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 72.540000000000006 110.891 -179.836 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.609 HD12 ' O ' ' A' ' 17' ' ' VAL . 1.0 OUTLIER -97.09 129.91 46.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 64.140000000000001 111.219 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -81.98 159.42 23.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 73.319999999999993 110.839 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -53.08 -45.54 68.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 75.140000000000001 110.925 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -59.07 -49.28 78.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 74.230000000000004 110.852 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -58.69 -42.86 89.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 75.430000000000007 110.877 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -62.09 -43.07 99.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 74.340000000000003 110.916 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.51 -51.33 69.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 70.25 111.131 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -62.61 -27.64 69.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 75.099999999999994 110.921 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -77.79 -35.0 51.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 61.149999999999999 110.875 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -63.4 119.27 9.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 74.349999999999994 110.924 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.54 3.6 66.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 52.130000000000003 112.495 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.8 t -93.98 23.98 4.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.339 . . . . 64.299999999999997 110.817 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.1 tt -92.6 16.62 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 63.109999999999999 111.15 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 75.230000000000004 110.887 179.931 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . 0.771 'CA ' ' OD1' ' A' ' 10' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . 0.755 'CA ' ' OD1' ' A' ' 50' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.2 mmm . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.799 0.333 . . . . 72.510000000000005 110.939 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.533 ' HB1' ' CE1' ' A' ' 62' ' ' TYR . . . -148.84 -75.23 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 53.43 111.117 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.35 -21.86 18.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 72.510000000000005 110.933 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.1 -25.65 13.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 50.229999999999997 111.053 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mt -62.5 -38.78 91.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 63.530000000000001 110.919 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -62.68 -47.7 82.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.140000000000001 110.856 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -73.95 -26.84 60.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 65.109999999999999 110.892 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -67.09 -43.18 83.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.421 . . . . 74.129999999999995 110.877 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.3 mm -68.38 -23.38 28.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 51.130000000000003 111.109 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -78.52 75.63 5.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 61.340000000000003 110.868 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.56 -19.69 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 64.200000000000003 111.114 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -83.02 -1.07 51.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 73.310000000000002 110.868 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 49.38 43.63 35.06 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.81 -0.71 . . . . 62.439999999999998 112.445 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.4 p30 -100.62 -16.77 17.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.351 . . . . 71.019999999999996 110.908 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.22 17.32 72.01 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.725 -0.75 . . . . 62.539999999999999 112.476 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.592 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -133.76 139.31 46.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 73.409999999999997 111.126 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.801 HG13 ' HB3' ' A' ' 21' ' ' GLU . 41.8 t -124.53 112.65 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 62.520000000000003 111.061 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.47 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -85.96 175.9 8.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.084 -0.507 . . . . 70.120000000000005 110.889 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -48.66 -45.76 39.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 70.439999999999998 110.91 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.93 -48.35 82.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 74.310000000000002 110.921 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.801 ' HB3' HG13 ' A' ' 17' ' ' VAL . 1.1 mt-10 -56.63 -38.58 72.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 75.219999999999999 110.887 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.424 HG23 HG12 ' A' ' 17' ' ' VAL . 55.5 t -63.53 -54.9 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 74.319999999999993 111.076 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.18 -35.74 67.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 75.109999999999999 110.886 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.75 -43.31 76.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 30.309999999999999 111.093 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -51.61 -52.32 48.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 73.219999999999999 110.904 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.69 -29.34 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 60.240000000000002 111.075 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.1 -23.28 66.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 71.530000000000001 110.85 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -73.35 -6.58 47.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 71.329999999999998 110.846 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -108.86 -25.3 10.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 61.43 110.909 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -176.11 -173.16 0.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 74.25 110.889 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.75 95.13 5.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 62.229999999999997 111.12 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pt -133.2 102.07 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 74.430000000000007 111.115 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.17 105.22 13.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 73.420000000000002 110.919 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -122.89 101.69 7.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 74.439999999999998 110.86 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -74.69 -42.39 58.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 73.299999999999997 110.83 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -71.9 -48.9 42.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 75.209999999999994 110.899 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 tp -61.24 -38.16 85.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 73.340000000000003 110.975 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.606 ' O ' HD22 ' A' ' 38' ' ' LEU . 1.0 OUTLIER -62.72 -48.77 77.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 73.239999999999995 110.889 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.505 ' N ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -62.65 -51.68 66.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 73.530000000000001 110.96 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -52.22 65.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 52.030000000000001 110.939 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.1 mm -61.87 -32.36 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.319999999999993 111.148 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -60.62 -50.09 74.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 74.439999999999998 110.842 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -71.79 -32.86 68.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 71.540000000000006 110.904 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 m -68.39 -50.62 51.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 73.319999999999993 110.812 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.6 mt -66.15 -34.17 68.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 72.329999999999998 111.105 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.668 ' HA ' HG23 ' A' ' 53' ' ' ILE . 8.2 t0 -84.46 120.76 26.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 72.299999999999997 110.891 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.05 -40.74 95.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 73.430000000000007 111.103 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.4 p30 -108.56 -16.14 14.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 71.409999999999997 110.884 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.427 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.5 33.11 70.29 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 61.340000000000003 112.493 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.423 ' C ' ' H ' ' A' ' 52' ' ' GLU . 37.6 p-10 -85.65 79.72 9.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.879 0.371 . . . . 74.349999999999994 110.895 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.63 -45.41 0.38 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 45.020000000000003 112.488 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.592 ' OE1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -152.04 165.49 34.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 64.109999999999999 110.929 -179.85 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.757 HD12 ' O ' ' A' ' 17' ' ' VAL . 1.3 mp -94.15 124.55 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 61.130000000000003 111.111 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -76.81 159.41 30.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 52.399999999999999 110.823 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -53.85 -45.07 70.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 74.439999999999998 110.98 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -58.19 -50.4 73.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 70.310000000000002 110.884 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -59.38 -43.88 92.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 71.349999999999994 110.902 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -63.84 -41.69 97.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 73.310000000000002 110.886 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.8 -51.86 67.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 73.140000000000001 111.064 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -66.02 -25.15 66.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 74.310000000000002 110.922 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -79.94 -34.2 39.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 60.350000000000001 110.867 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.533 ' CE1' ' HB1' ' A' ' 2' ' ' ALA . 49.0 t80 -63.46 118.16 7.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 74.439999999999998 110.915 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.77 3.8 90.37 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.723 -0.751 . . . . 62.119999999999997 112.516 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.41 57.79 1.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 74.319999999999993 110.872 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.3 tt -92.57 16.5 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 62.200000000000003 111.133 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 65.25 110.881 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 mmt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.817 0.341 . . . . 52.310000000000002 110.864 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.12 -69.7 0.83 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.415 . . . . 60.140000000000001 111.122 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -102.89 -21.5 13.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 72.230000000000004 110.958 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.48 -25.24 15.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 75.030000000000001 111.134 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mt -63.12 -37.7 88.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.420000000000002 110.942 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -62.78 -48.18 80.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 72.430000000000007 110.889 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -74.8 -27.01 60.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 73.219999999999999 110.894 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.44 -45.15 80.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 74.209999999999994 110.869 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.62 -28.49 40.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 73.010000000000005 111.104 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -73.6 75.61 1.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 75.129999999999995 110.85 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 t -61.52 -17.5 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 71.439999999999998 111.114 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -82.61 -1.42 50.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 74.310000000000002 110.907 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.72 42.1 27.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 70.239999999999995 112.434 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 p30 -98.98 -17.0 18.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.835 0.35 . . . . 75.540000000000006 110.84 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.01 17.82 68.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 70.010000000000005 112.416 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.583 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -135.32 140.55 45.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 51.43 111.082 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.768 ' O ' HD12 ' A' ' 53' ' ' ILE . 13.1 t -124.15 111.63 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 73.040000000000006 111.116 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.478 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -86.45 176.52 7.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 75.310000000000002 110.82 -179.872 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.677 ' HB2' HD11 ' A' ' 38' ' ' LEU . 38.9 p90 -47.85 -45.59 30.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.05 -0.523 . . . . 71.439999999999998 110.96 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.67 -48.35 81.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 73.439999999999998 110.937 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.689 ' HB3' HG13 ' A' ' 17' ' ' VAL . 1.1 mt-10 -56.31 -40.29 74.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 70.519999999999996 110.883 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.463 HG23 HG12 ' A' ' 17' ' ' VAL . 41.6 t -62.29 -55.2 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 63.200000000000003 111.117 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -35.83 65.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 73.239999999999995 110.874 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.49 -42.36 78.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 54.25 111.087 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -51.51 -51.83 51.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 63.100000000000001 110.926 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.84 -29.32 40.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 70.400000000000006 111.167 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.01 -23.94 64.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 62.329999999999998 110.844 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -8.09 54.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 73.120000000000005 110.886 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -106.4 -26.65 11.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 72.329999999999998 110.881 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -176.25 -173.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 75.150000000000006 110.825 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.7 94.88 4.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 65.129999999999995 111.121 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.1 mm -133.06 102.32 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 64.25 111.175 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.99 105.17 12.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 74.400000000000006 110.891 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -123.5 101.61 7.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 75.439999999999998 110.808 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.61 -42.61 58.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 62.119999999999997 110.865 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -49.32 35.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 71.519999999999996 110.889 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tp -60.59 -39.14 86.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 52.009999999999998 110.917 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.677 HD11 ' HB2' ' A' ' 19' ' ' TYR . 2.0 tm? -62.86 -46.84 86.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 51.149999999999999 110.893 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.21 -51.98 64.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 75.430000000000007 110.916 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.45 -52.03 66.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 54.240000000000002 110.911 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.5 mm -60.93 -33.28 54.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 64.030000000000001 111.115 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -60.32 -50.31 74.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 63.130000000000003 110.858 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -71.9 -29.39 64.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 73.140000000000001 110.919 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.44 -51.1 31.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 75.25 110.838 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.731 HG23 ' CE2' ' A' ' 61' ' ' PHE . 70.7 mt -66.52 -37.87 80.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 71.409999999999997 111.112 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.598 ' HA ' HG23 ' A' ' 53' ' ' ILE . 8.6 t0 -77.8 121.51 24.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 75.409999999999997 110.886 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.42 -42.2 98.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 74.409999999999997 111.009 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.5 p30 -108.35 -16.52 14.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.419 . . . . 72.230000000000004 110.826 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.423 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.63 32.87 70.16 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 72.129999999999995 112.498 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.3 p-10 -85.52 79.63 9.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 63.219999999999999 110.894 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.86 -45.38 0.41 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.667 -0.777 . . . . 74.230000000000004 112.415 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.612 ' O ' 'CA ' ' A' ' 102' ' ' ' CA' . 0.0 OUTLIER -152.57 165.54 34.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 72.310000000000002 110.941 -179.866 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.768 HD12 ' O ' ' A' ' 17' ' ' VAL . 1.1 mp -95.47 124.74 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 74.140000000000001 111.153 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.22 159.0 31.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 62.140000000000001 110.861 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -53.75 -45.7 70.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 74.540000000000006 110.945 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -58.62 -49.03 78.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 63.109999999999999 110.838 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -58.41 -40.64 83.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 62.020000000000003 110.894 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -64.94 -42.12 94.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 63.130000000000003 110.875 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.62 -52.12 65.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 55.299999999999997 111.103 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -66.56 -24.61 66.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 71.5 110.892 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.731 ' CE2' HG23 ' A' ' 45' ' ' ILE . 6.8 t80 -81.25 -32.81 33.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 74.239999999999995 110.89 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -59.15 118.22 5.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 52.5 110.92 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.36 3.4 72.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.752 . . . . 74.140000000000001 112.478 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.4 t 51.14 54.4 11.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 75.120000000000005 110.876 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.45 HG22 ' O ' ' A' ' 65' ' ' ILE . 6.1 mt -94.65 16.56 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.509 . . . . 73.400000000000006 111.156 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.489 . . . . 74.120000000000005 110.868 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . 0.612 'CA ' ' O ' ' A' ' 52' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.3 mtt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.791 0.329 . . . . 74.219999999999999 110.861 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.9 -73.51 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 75.239999999999995 111.15 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.86 -21.24 13.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 65.439999999999998 110.841 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.67 -25.12 16.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 65.5 111.107 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.81 -39.22 93.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 74.120000000000005 110.928 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.403 ' CE2' HG23 ' A' ' 17' ' ' VAL . 2.7 t80 -63.46 -47.11 83.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 73.540000000000006 110.873 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.35 -26.8 61.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 71.200000000000003 110.955 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.9 -42.29 77.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 74.540000000000006 110.862 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.0 mm -68.0 -23.51 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.492 . . . . 73.349999999999994 111.128 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -73.69 75.36 1.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 75.099999999999994 110.828 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.6 t -61.3 -17.5 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 71.239999999999995 111.191 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.24 -1.05 57.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 72.430000000000007 110.977 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.48 47.26 44.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 44.219999999999999 112.449 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -105.53 -15.65 14.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.861 0.363 . . . . 64.530000000000001 110.877 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.44 16.46 67.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 61.549999999999997 112.46 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.583 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -134.34 136.89 43.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.809 0.338 . . . . 54.420000000000002 111.111 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.858 HG13 ' HB3' ' A' ' 21' ' ' GLU . 53.6 t -124.73 112.17 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 70.400000000000006 111.087 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.481 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -83.46 175.78 9.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 62.420000000000002 110.832 -179.818 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -49.1 -46.21 44.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 75.099999999999994 110.915 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.2 -49.5 77.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.072 -0.513 . . . . 54.130000000000003 110.892 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.858 ' HB3' HG13 ' A' ' 17' ' ' VAL . 3.8 mt-10 -56.61 -38.04 71.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 63.299999999999997 110.91 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.486 HG23 HG12 ' A' ' 17' ' ' VAL . 54.4 t -63.8 -54.88 26.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 72.239999999999995 111.148 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.459 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -55.0 -37.76 66.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 71.120000000000005 110.852 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.04 -41.5 81.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 61.439999999999998 111.148 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -52.07 -51.83 55.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 75.409999999999997 110.887 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.02 -29.51 40.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 72.319999999999993 111.096 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -22.8 67.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 54.229999999999997 110.837 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -72.61 -7.72 51.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 74.340000000000003 110.849 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -108.18 -21.89 12.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 74.239999999999995 110.913 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -175.99 -173.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 70.310000000000002 110.809 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.93 94.83 4.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 73.310000000000002 111.127 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pt -133.45 102.14 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 74.549999999999997 111.096 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.1 104.59 13.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 75.319999999999993 110.884 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.548 ' CG ' HD12 ' A' ' 37' ' ' LEU . 34.6 m120 -123.69 101.56 7.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 73.319999999999993 110.93 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -42.1 59.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 72.519999999999996 110.953 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -49.42 41.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 74.439999999999998 110.852 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.548 HD12 ' CG ' ' A' ' 34' ' ' ASN . 26.6 mt -61.49 -37.56 84.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 72.540000000000006 110.922 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.509 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.8 tm? -62.27 -47.72 83.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 74.409999999999997 110.921 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.5 -51.82 63.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 64.230000000000004 110.964 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.98 -51.91 67.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 75.430000000000007 110.891 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.9 mt -61.77 -32.71 54.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 71.010000000000005 111.152 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -59.99 -51.4 69.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 74.530000000000001 110.85 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -30.88 65.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 72.549999999999997 110.886 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -68.79 -49.72 56.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 71.200000000000003 110.881 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 58.2 mt -65.84 -33.94 66.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 73.219999999999999 111.102 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.662 ' HA ' HG23 ' A' ' 53' ' ' ILE . 7.8 t0 -83.32 120.74 26.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 63.140000000000001 110.896 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.428 ' HB3' ' HG2' ' A' ' 57' ' ' GLU . . . -65.31 -40.85 94.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 42.229999999999997 111.061 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.3 p-10 -108.71 -15.84 14.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 73.400000000000006 110.819 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.438 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 59.22 33.12 73.79 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.718 -0.753 . . . . 64.329999999999998 112.482 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.412 ' C ' ' H ' ' A' ' 52' ' ' GLU . 36.8 p-10 -85.12 79.73 9.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.906 0.384 . . . . 71.450000000000003 110.941 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.63 -45.69 0.39 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 74.530000000000001 112.499 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.604 ' O ' 'CA ' ' A' ' 102' ' ' ' CA' . 0.0 OUTLIER -152.23 164.79 36.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.36 . . . . 60.329999999999998 110.889 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.783 HD12 ' O ' ' A' ' 17' ' ' VAL . 1.4 mp -91.68 118.81 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 74.349999999999994 111.141 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -76.28 159.08 30.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 70.239999999999995 110.876 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -52.95 -45.66 67.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 52.409999999999997 110.898 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -58.41 -50.07 74.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 73.510000000000005 110.912 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.428 ' HG2' ' HB3' ' A' ' 47' ' ' ALA . 25.4 mt-10 -61.4 -42.47 98.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 65.409999999999997 110.874 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -64.16 -43.56 94.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 73.340000000000003 110.875 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.9 -51.86 67.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 50.039999999999999 111.134 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -66.01 -24.92 66.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 74.340000000000003 110.931 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -80.3 -34.19 37.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 62.32 110.891 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -63.67 118.88 8.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 55.539999999999999 110.928 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.28 3.51 90.06 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.781 -0.723 . . . . 54.210000000000001 112.522 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 38.9 t -93.91 25.39 3.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.894 0.378 . . . . 61.25 110.857 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.506 ' H ' HD12 ' A' ' 65' ' ' ILE . 1.9 mp -92.85 16.51 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 50.450000000000003 111.158 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 73.409999999999997 110.967 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . 0.604 'CA ' ' O ' ' A' ' 52' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.862 0.363 . . . . 73.24 110.901 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.64 -26.32 13.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 62.23 111.122 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mt -62.17 -37.82 86.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 64.43 110.896 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.6 ' CE2' HG22 ' A' ' 17' ' ' VAL . 4.7 t80 -61.67 -49.18 77.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 73.21 110.918 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.59 -27.0 60.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.101 -0.5 . . . . 72.14 110.842 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -65.55 -43.4 90.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 62.51 110.9 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.447 HD11 ' CE1' ' A' ' 25' ' ' PHE . 32.3 mm -68.56 -22.63 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 70.43 111.135 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.8 78.23 9.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 65.22 110.874 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.14 -16.93 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 75.34 111.119 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -83.78 -1.51 54.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 73.21 110.904 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 49.0 43.76 31.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.725 -0.75 . . . . 71.44 112.514 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.2 p30 -100.32 -15.73 17.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 60.24 110.867 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.88 10.34 77.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.679 -0.772 . . . . 74.21 112.498 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.678 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -134.65 137.75 43.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.905 0.383 . . . . 72.21 111.09 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.696 HG12 ' OE1' ' A' ' 21' ' ' GLU . 35.3 m -123.98 117.74 51.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.441 . . . . 71.54 111.115 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.509 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -83.73 177.57 8.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 54.21 110.907 -179.872 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.443 ' HB2' HD11 ' A' ' 38' ' ' LEU . 40.1 p90 -47.35 -44.8 24.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.35 110.898 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -58.48 -47.05 85.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 75.44 110.816 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.696 ' OE1' HG12 ' A' ' 17' ' ' VAL . 1.9 mm-40 -56.6 -42.57 78.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 75.05 110.886 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.4 t -61.39 -54.7 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 73.32 111.131 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.443 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -55.62 -35.14 65.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 73.04 110.937 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.07 -42.89 79.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 74.45 111.106 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.447 ' CE1' HD11 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -51.62 -52.65 45.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 63.3 110.828 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -29.6 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 75.1 111.128 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.23 -23.57 67.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 75.43 110.905 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -73.67 -6.92 49.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 73.23 110.933 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -108.32 -24.24 11.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.856 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -175.59 -173.8 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 71.44 110.822 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.78 95.19 5.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 71.03 111.058 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.4 mt -132.83 102.46 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 61.14 111.107 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.78 105.06 12.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 73.51 110.893 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -123.28 101.9 7.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 74.45 110.885 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -42.43 59.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 72.02 110.887 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -49.12 37.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 72.11 110.88 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tp -60.99 -38.86 87.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.31 110.891 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.508 HD22 ' O ' ' A' ' 38' ' ' LEU . 1.8 tm? -62.69 -47.94 81.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 71.34 110.916 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -51.4 64.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 74.42 110.902 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.7 -51.7 68.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 62.52 110.96 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.4 mm -62.39 -32.98 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 72.44 111.166 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -59.42 -52.41 65.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 73.54 110.853 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.0 -31.56 66.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 73.01 110.902 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 m -67.23 -50.95 58.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 75.14 110.787 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.7 mt -67.23 -28.55 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 64.2 111.085 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.652 ' HA ' HG23 ' A' ' 53' ' ' ILE . 7.9 t0 -87.23 121.5 29.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 44.14 110.875 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.09 -42.08 97.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 65.44 111.034 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.0 p30 -108.89 -16.26 14.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.243 -0.435 . . . . 72.33 110.865 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.452 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.6 33.03 70.39 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.727 -0.749 . . . . 75.34 112.481 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.2 p-10 -84.94 80.12 9.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 65.15 110.88 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.83 -45.35 0.4 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.802 -0.713 . . . . 65.42 112.534 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.678 ' OE1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -152.22 165.36 35.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 62.43 110.898 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.652 HG23 ' HA ' ' A' ' 46' ' ' ASP . 1.2 mp -94.15 124.81 46.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 65.25 111.141 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.91 159.83 29.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 65.05 110.893 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -55.79 -46.42 78.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 73.13 110.971 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.46 -48.38 80.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 54.33 110.928 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -58.22 -42.25 85.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.499 . . . . 75.31 110.861 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -63.34 -43.73 96.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 74.33 110.879 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.18 -51.61 68.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 64.14 111.067 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -24.92 66.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 65.13 110.946 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.6 t80 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.86 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.526 0.051 0 CA-C-O 120.853 0.359 . . . . 75.12 110.907 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.26 -27.55 69.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 62.42 111.113 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mt -63.41 -35.88 81.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 45.35 110.936 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.587 ' HE2' HG22 ' A' ' 17' ' ' VAL . 4.1 t80 -62.55 -49.48 75.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 73.32 110.89 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -75.63 -26.89 58.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 64.51 110.898 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -65.82 -43.23 89.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 62.32 110.895 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.0 mm -68.36 -23.89 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 65.21 111.169 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.87 75.17 4.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 72.53 110.855 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.2 t -61.51 -18.44 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 64.04 111.105 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -82.85 -0.82 49.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 64.21 110.88 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.68 45.25 48.11 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.803 -0.713 . . . . 73.4 112.434 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.5 p30 -104.11 -15.81 15.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 74.45 110.878 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.65 12.85 64.93 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.778 -0.725 . . . . 54.52 112.563 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.702 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -134.73 138.93 44.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 72.3 111.164 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.684 ' O ' HD12 ' A' ' 53' ' ' ILE . 35.7 m -123.9 118.81 55.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 60.32 111.187 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.504 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -84.27 178.06 7.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 62.21 110.857 -179.768 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -47.04 -45.62 21.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 74.01 110.858 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -58.4 -47.56 83.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 70.4 110.916 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.43 ' OE1' HG12 ' A' ' 17' ' ' VAL . 5.8 mt-10 -56.18 -41.64 75.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 75.5 110.892 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.22 -54.89 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 73.35 111.127 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.561 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -54.65 -37.41 65.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 73.53 110.843 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.19 -40.95 86.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 73.13 111.076 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -51.82 -51.88 53.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 73.5 110.811 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.87 -29.52 40.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.148 -0.478 . . . . 64.54 111.175 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.49 -23.28 67.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 71.54 110.896 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.97 -7.26 50.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 71.42 110.857 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -107.66 -38.56 5.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 71.1 110.923 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.59 -173.44 3.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 65.32 110.863 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.91 95.22 5.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 72.11 111.097 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.45 ' O ' HG23 ' A' ' 32' ' ' ILE . 3.2 tp -133.41 102.38 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 74.35 111.17 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.93 104.98 11.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 75.01 110.918 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -123.83 101.78 7.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 72.24 110.907 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -74.62 -42.36 58.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 72.21 110.942 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -48.79 42.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 63.14 110.84 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tp -61.9 -37.54 84.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.26 -0.427 . . . . 75.34 110.887 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.561 HD23 ' HG2' ' A' ' 23' ' ' LYS . 1.7 tm? -62.58 -48.2 80.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 64.34 110.943 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.5 -51.36 65.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 74.03 110.897 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.96 -52.01 66.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 63.33 110.887 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.7 mm -61.96 -32.97 55.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.177 -0.465 . . . . 53.14 111.105 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -59.46 -52.76 64.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 74.41 110.862 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.04 -31.79 66.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 73.45 110.915 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m -66.96 -51.22 57.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 72.33 110.903 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 53.0 mt -66.56 -26.26 37.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 73.22 111.131 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.621 ' HA ' HG23 ' A' ' 53' ' ' ILE . 8.1 t0 -88.49 121.84 31.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 64.43 110.867 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.12 -43.33 98.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 63.21 111.063 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.7 p30 -108.64 -15.95 14.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 71.34 110.845 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.466 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.79 33.3 72.51 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.697 -0.763 . . . . 72.23 112.468 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -85.42 80.22 9.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 73.44 110.886 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.91 -45.65 0.42 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.811 -0.709 . . . . 63.32 112.474 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.702 ' OE1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -152.49 165.94 33.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 53.4 110.898 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.684 HD12 ' O ' ' A' ' 17' ' ' VAL . 1.2 mp -95.46 127.46 47.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 73.4 111.102 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -79.84 159.78 26.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 74.43 110.888 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -54.8 -44.81 74.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 75.22 110.95 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.79 -46.41 90.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 73.21 110.89 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -60.46 -41.39 94.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.848 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -64.16 -45.4 88.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 75.43 110.918 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.66 -51.68 68.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 72.44 111.08 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -65.3 -25.16 67.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 73.34 110.905 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.7 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 74.53 110.88 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.929 0.395 . . . . 75.04 110.952 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.48 -26.49 13.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 61.22 111.023 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mt -61.85 -38.04 86.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 55.13 110.912 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.646 ' CE2' HG22 ' A' ' 17' ' ' VAL . 3.4 t80 -61.23 -48.86 79.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 63.1 110.868 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -26.82 59.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 73.51 110.899 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -65.82 -42.0 91.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 73.13 110.853 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.56 HD11 ' CE1' ' A' ' 25' ' ' PHE . 27.8 mm -68.29 -22.83 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 71.41 111.154 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.51 77.2 8.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 73.34 110.894 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.9 t -64.08 -15.33 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 74.13 111.136 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -82.75 -0.81 49.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 75.21 110.939 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.43 46.68 45.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.64 -0.791 . . . . 51.42 112.506 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.5 p30 -107.86 -15.99 14.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 71.53 110.85 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.24 11.41 75.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 30.32 112.487 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.689 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -134.88 137.45 43.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 73.15 111.069 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.646 HG22 ' CE2' ' A' ' 6' ' ' PHE . 31.0 m -123.95 118.45 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 74.45 111.068 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.524 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -82.57 177.39 8.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 54.03 110.876 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.406 ' HB2' HD11 ' A' ' 38' ' ' LEU . 37.9 p90 -47.75 -45.64 29.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 73.21 110.935 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -46.57 83.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 65.54 110.913 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.518 ' OE1' HG12 ' A' ' 17' ' ' VAL . 6.7 mt-10 -57.09 -41.71 79.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 75.41 110.914 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 65.6 t -61.79 -54.7 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 71.34 111.136 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.584 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -55.96 -35.24 66.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.906 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.38 -42.56 78.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 73.44 111.091 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CE1' HD11 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -51.84 -52.51 48.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 71.14 110.869 -179.898 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.36 -29.59 42.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.102 -0.499 . . . . 74.14 111.16 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -64.05 -23.55 67.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 75.24 110.881 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -73.53 -7.17 50.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 74.11 110.9 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -108.34 -23.08 12.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 75.4 110.883 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -175.55 -174.01 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 72.0 110.849 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.74 95.14 5.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 63.11 111.132 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.518 HD12 HD22 ' A' ' 34' ' ' ASN . 1.2 pt -132.9 102.22 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 75.22 111.085 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.49 104.85 13.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 64.43 110.937 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.518 HD22 HD12 ' A' ' 32' ' ' ILE . 71.4 m-80 -123.42 102.01 7.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 70.3 110.895 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.26 -42.52 59.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.115 -0.493 . . . . 74.12 110.878 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -72.19 -48.8 40.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 73.11 110.965 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.13 -38.91 88.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.939 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.584 HD23 ' HG2' ' A' ' 23' ' ' LYS . 1.8 tm? -62.75 -48.0 81.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 55.11 110.927 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -51.44 64.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 74.34 110.894 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.72 -51.85 67.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 72.31 110.867 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.4 mm -62.11 -33.17 57.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 73.31 111.217 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -59.17 -52.05 67.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 74.42 110.952 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.21 -31.33 65.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 72.12 110.908 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.0 m -67.38 -50.68 58.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 72.32 110.858 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 59.1 mt -66.44 -34.79 72.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 64.24 111.153 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.671 ' HA ' HG23 ' A' ' 53' ' ' ILE . 7.3 t0 -81.19 120.6 25.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 74.32 110.84 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.429 ' HB3' ' HG2' ' A' ' 57' ' ' GLU . . . -64.92 -40.78 95.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 71.43 111.159 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.3 p30 -109.01 -16.49 14.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 64.14 110.853 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.456 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.38 33.04 69.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 62.33 112.462 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.411 ' C ' ' H ' ' A' ' 52' ' ' GLU . 37.6 p-10 -84.91 80.35 9.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 75.44 110.941 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.9 -45.61 0.42 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.827 -0.702 . . . . 51.43 112.44 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.689 ' OE1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -152.07 164.79 36.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 74.32 110.868 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.671 HG23 ' HA ' ' A' ' 46' ' ' ASP . 1.3 mp -92.29 120.25 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 73.12 111.169 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.05 159.68 28.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.883 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -53.89 -46.26 71.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 74.31 110.908 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.29 -50.16 74.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.43 110.922 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.429 ' HG2' ' HB3' ' A' ' 47' ' ' ALA . 25.1 mt-10 -60.11 -41.86 93.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 70.13 110.901 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -62.59 -44.71 95.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 73.4 110.879 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.47 -51.61 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 73.3 111.179 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -25.12 67.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 63.12 110.902 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.2 t80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 72.31 110.902 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.0 pm0 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.849 0.356 . . . . 72.23 110.833 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.25 -26.59 12.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 65.32 111.083 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 mt -61.61 -39.59 91.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 72.3 110.859 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.401 ' CE2' HG23 ' A' ' 17' ' ' VAL . 2.7 t80 -61.55 -47.22 86.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 74.11 110.919 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -74.15 -26.9 60.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 73.21 110.889 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -66.97 -41.67 86.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 61.31 110.872 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.9 mm -68.35 -23.62 28.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 75.53 111.1 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.42 77.2 4.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 50.15 110.893 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.08 -20.65 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 61.24 111.094 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -82.97 -0.98 51.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 63.22 110.874 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.03 45.89 41.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 62.32 112.53 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.9 p30 -104.01 -16.58 15.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 72.41 110.904 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.85 19.82 71.86 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.741 -0.742 . . . . 65.21 112.504 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.578 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -133.68 135.73 44.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.335 . . . . 62.3 111.143 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.851 HG13 ' HB3' ' A' ' 21' ' ' GLU . 54.0 t -124.11 113.14 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 63.21 111.139 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.493 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -84.86 175.78 8.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 44.33 110.891 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.624 ' HB2' HD11 ' A' ' 38' ' ' LEU . 38.7 p90 -49.35 -45.86 46.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 74.54 110.867 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.87 -48.29 82.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 73.24 110.939 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.851 ' HB3' HG13 ' A' ' 17' ' ' VAL . 1.1 mt-10 -57.52 -36.77 72.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 72.24 110.859 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.451 HG23 HG12 ' A' ' 17' ' ' VAL . 54.9 t -65.19 -54.92 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 75.22 111.161 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -37.49 68.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 74.35 110.846 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.9 -42.25 77.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 64.53 111.158 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -51.91 -51.67 55.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 62.42 110.85 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.51 -29.5 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 71.33 111.15 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.99 -23.8 63.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 72.34 110.862 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -72.91 -8.29 54.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 74.13 110.879 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -106.5 -24.81 12.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 73.42 110.903 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -175.87 -173.69 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 64.14 110.895 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.78 95.07 5.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 70.51 111.144 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pt -133.31 102.02 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 45.51 111.135 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.95 104.52 14.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.946 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -123.55 101.42 7.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 64.25 110.87 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.77 -42.71 57.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 73.04 110.856 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.32 -49.22 36.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 73.31 110.929 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 tp -60.83 -38.81 86.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 73.15 110.878 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.624 HD11 ' HB2' ' A' ' 19' ' ' TYR . 1.9 tm? -63.07 -47.33 83.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 62.24 110.955 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -51.78 65.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 70.42 110.945 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.34 -52.02 66.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 74.01 110.975 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.9 mm -61.07 -34.14 58.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 64.34 111.077 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -59.27 -51.3 70.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 75.15 110.925 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.16 -29.41 63.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 75.44 110.872 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.39 -51.03 40.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 62.51 110.887 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.722 HG23 ' CE2' ' A' ' 61' ' ' PHE . 69.9 mt -66.8 -40.62 86.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 74.13 111.139 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.647 ' HA ' HG23 ' A' ' 53' ' ' ILE . 7.9 t0 -73.98 121.12 20.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 53.05 110.854 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.409 ' HB3' ' HG2' ' A' ' 57' ' ' GLU . . . -63.84 -42.41 97.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 61.41 111.131 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.6 p30 -108.35 -16.23 14.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 61.21 110.911 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.46 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.52 33.01 69.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.811 -0.709 . . . . 51.32 112.501 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.42 ' C ' ' H ' ' A' ' 52' ' ' GLU . 38.2 p-10 -85.15 79.99 9.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 71.23 110.936 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.91 -45.31 0.41 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.739 . . . . 61.41 112.509 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.578 ' OE1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -152.67 165.49 35.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 70.25 110.847 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.743 HD12 ' O ' ' A' ' 17' ' ' VAL . 1.2 mp -94.51 123.7 46.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.499 . . . . 74.41 111.093 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.57 159.02 30.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 73.43 110.79 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -53.25 -44.13 67.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 62.12 110.94 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -58.3 -50.07 74.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 73.42 110.878 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.409 ' HG2' ' HB3' ' A' ' 47' ' ' ALA . 48.1 mt-10 -60.49 -43.76 96.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 75.44 110.899 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -64.19 -40.8 96.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 75.42 110.867 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.82 -51.94 67.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 74.54 111.156 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -65.78 -24.91 67.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 64.21 110.971 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.722 ' CE2' HG23 ' A' ' 45' ' ' ILE . 3.5 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 74.14 110.877 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.813 0.34 . . . . 72.14 110.908 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.0 -27.33 13.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 72.4 111.105 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 mt -60.64 -39.78 89.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 73.34 110.932 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 3.3 t80 -62.39 -48.03 81.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 71.24 110.897 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.2 -26.85 62.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 62.41 110.89 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -68.26 -42.11 80.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 62.14 110.831 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.8 mm -68.39 -24.09 29.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 73.34 111.153 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -76.03 75.37 2.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 75.32 110.893 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.3 -21.84 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 73.34 111.105 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -83.0 -0.97 51.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 71.45 110.89 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.22 46.24 43.5 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 53.01 112.552 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.7 p30 -104.9 -16.81 14.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 54.23 110.838 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.5 19.34 72.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.745 -0.741 . . . . 64.0 112.526 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.581 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -133.98 135.37 43.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.775 0.321 . . . . 73.0 111.124 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.852 HG13 ' HB3' ' A' ' 21' ' ' GLU . 54.5 t -124.31 113.2 35.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 62.05 111.131 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.486 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -84.49 175.8 9.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 44.43 110.886 -179.844 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.414 ' HB2' HD11 ' A' ' 38' ' ' LEU . 39.0 p90 -49.4 -46.03 46.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.118 -0.492 . . . . 75.23 110.887 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.67 -48.58 81.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 72.21 110.888 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.852 ' HB3' HG13 ' A' ' 17' ' ' VAL . 1.4 mt-10 -57.36 -36.4 71.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 74.14 110.884 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.445 HG23 HG12 ' A' ' 17' ' ' VAL . 53.2 t -65.44 -55.06 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 72.1 111.159 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -38.03 67.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 63.44 110.909 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.58 -41.8 79.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 72.23 111.115 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -51.82 -51.72 54.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 71.22 110.866 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.68 -29.47 41.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 73.11 111.119 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.17 -23.55 64.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 73.2 110.871 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -8.44 55.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 75.31 110.871 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -106.02 -24.89 12.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.445 . . . . 55.52 110.828 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -176.24 -173.91 0.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 64.44 110.815 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.74 95.02 5.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 60.24 111.128 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.9 mt -133.15 102.23 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 61.01 111.119 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.79 104.96 13.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 74.45 110.888 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -123.37 101.49 7.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 75.14 110.893 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -42.64 58.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 64.34 110.924 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -49.05 38.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 64.05 110.901 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tp -60.95 -38.35 85.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 54.05 110.962 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.517 HD22 ' O ' ' A' ' 38' ' ' LEU . 1.7 tm? -62.82 -47.56 82.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 71.13 110.976 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -51.68 65.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 73.12 110.938 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.56 -51.94 66.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 72.12 110.912 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.3 mm -61.29 -32.38 52.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 71.43 111.194 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -60.97 -51.4 69.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 72.33 110.872 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -30.16 64.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.901 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.9 m -70.05 -50.35 42.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 64.45 110.845 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.7 mt -66.08 -32.66 59.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 73.15 111.115 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.665 ' HA ' HG23 ' A' ' 53' ' ' ILE . 7.9 t0 -83.65 120.73 26.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 74.23 110.879 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.433 ' HB3' ' HG2' ' A' ' 57' ' ' GLU . . . -64.69 -41.62 95.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 72.42 111.136 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.8 p30 -108.3 -15.93 14.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 55.14 110.871 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.448 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 59.13 33.11 73.24 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.692 -0.766 . . . . 73.22 112.531 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.416 ' C ' ' H ' ' A' ' 52' ' ' GLU . 38.7 p-10 -86.02 79.86 9.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 72.43 110.86 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.77 -45.51 0.4 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 60.15 112.458 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.581 ' OE1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -152.5 165.55 34.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.815 0.341 . . . . 73.42 110.849 -179.796 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.768 HD12 ' O ' ' A' ' 17' ' ' VAL . 1.3 mp -93.37 123.86 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 74.33 111.126 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -76.69 159.4 30.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 74.11 110.856 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -53.81 -44.98 70.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 53.45 110.976 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -49.97 75.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 71.13 110.854 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.433 ' HG2' ' HB3' ' A' ' 47' ' ' ALA . 50.2 mt-10 -59.76 -43.38 94.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 73.12 110.869 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -63.96 -41.73 97.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 72.43 110.908 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.28 -51.77 68.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 31.24 111.116 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -66.33 -24.82 66.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.914 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.0 t80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 72.44 110.89 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.903 0.383 . . . . 74.21 110.905 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.11 -26.96 12.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 74.05 111.113 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mt -61.42 -37.83 84.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.442 . . . . 71.41 110.973 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.638 ' CE2' HG22 ' A' ' 17' ' ' VAL . 3.4 t80 -60.61 -49.18 78.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 75.34 110.893 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -26.71 58.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 71.13 110.943 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -65.56 -41.12 93.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 75.21 110.869 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.437 HD11 ' CE1' ' A' ' 25' ' ' PHE . 34.6 mm -68.3 -23.82 28.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 33.14 111.13 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.43 75.09 6.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 73.24 110.942 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.1 t -61.42 -19.27 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 74.33 111.067 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -82.91 -0.55 48.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 62.1 110.921 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.53 46.37 53.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 73.51 112.537 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -102.76 -15.69 16.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.849 0.357 . . . . 62.12 110.825 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.45 8.92 67.65 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.751 -0.738 . . . . 52.31 112.502 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.697 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -134.28 139.44 45.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 63.43 111.09 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.699 HG12 ' OE1' ' A' ' 21' ' ' GLU . 35.5 m -124.05 117.12 49.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 71.25 111.14 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.517 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -82.75 177.47 8.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 65.1 110.825 -179.847 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.413 ' HB2' HD11 ' A' ' 38' ' ' LEU . 39.4 p90 -47.47 -45.4 26.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 72.44 110.971 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.52 -46.58 83.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 71.54 110.971 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.699 ' OE1' HG12 ' A' ' 17' ' ' VAL . 2.2 mm-40 -56.75 -41.57 77.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 72.42 110.943 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.2 t -61.67 -55.05 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 74.32 111.056 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.569 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -56.12 -34.67 66.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 75.43 110.875 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.34 -43.12 78.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 75.33 111.05 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.437 ' CE1' HD11 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -51.48 -52.57 45.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 72.52 110.848 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.54 -29.45 41.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 73.1 111.123 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.48 -23.43 67.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 70.02 110.819 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -73.46 -7.36 51.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 72.24 110.867 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -108.56 -22.39 12.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 70.54 110.944 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -176.22 -173.81 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 74.24 110.905 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.52 95.08 5.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 63.41 111.162 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.452 HG22 ' ND2' ' A' ' 34' ' ' ASN . 40.0 mm -133.17 102.3 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 61.31 111.102 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.78 105.17 13.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 64.12 110.917 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.452 ' ND2' HG22 ' A' ' 32' ' ' ILE . 1.6 m-80 -123.1 101.7 7.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 72.21 110.902 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -41.48 60.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 73.21 110.894 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -50.98 24.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 75.1 110.882 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.403 ' HB3' ' HB3' ' A' ' 34' ' ' ASN . 8.7 tp -60.07 -38.9 84.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.294 -0.412 . . . . 61.53 110.889 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.569 HD23 ' HG2' ' A' ' 23' ' ' LYS . 1.7 tm? -62.05 -47.94 82.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 74.32 110.968 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -51.72 64.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 70.31 110.86 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.83 -51.86 67.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 64.43 110.926 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.3 mm -61.76 -33.26 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 61.12 111.153 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -59.33 -52.14 66.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 73.34 110.868 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -72.27 -31.03 65.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.479 . . . . 74.31 110.877 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.3 m -67.74 -50.99 54.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 73.54 110.855 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 57.4 mt -66.52 -32.78 59.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 74.45 111.169 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.672 ' HA ' HG23 ' A' ' 53' ' ' ILE . 7.5 t0 -83.21 121.06 26.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 74.22 110.888 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.446 ' HB3' ' HG2' ' A' ' 57' ' ' GLU . . . -64.34 -41.49 96.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 71.54 111.057 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.8 p-10 -109.11 -16.37 14.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.302 -0.408 . . . . 72.51 110.857 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.454 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.82 32.92 71.06 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.73 -0.748 . . . . 62.54 112.544 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.414 ' C ' ' H ' ' A' ' 52' ' ' GLU . 35.8 p-10 -84.25 80.06 9.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.809 0.338 . . . . 63.22 110.856 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.76 -45.67 0.4 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.75 -0.738 . . . . 64.34 112.523 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.697 ' OE1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -151.83 165.15 35.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.322 . . . . 75.23 110.933 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 17' ' ' VAL . 1.3 mp -93.51 122.23 44.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 74.0 111.132 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -80.44 159.7 25.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 73.51 110.884 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -53.08 -46.16 68.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 74.1 110.925 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -58.35 -50.2 74.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 73.43 110.917 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.446 ' HG2' ' HB3' ' A' ' 47' ' ' ALA . 35.4 mt-10 -60.29 -41.91 94.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 52.31 110.942 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -62.59 -43.92 97.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 54.13 110.913 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.23 -51.58 68.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 72.34 111.089 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -63.99 -25.14 68.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 71.43 110.928 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.9 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 71.0 110.929 179.928 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.833 0.349 . . . . 72.03 110.871 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.74 -26.31 13.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 70.44 111.116 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mt -62.33 -37.34 85.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 63.23 110.898 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.579 ' HE2' HG22 ' A' ' 17' ' ' VAL . 3.5 t80 -61.72 -48.83 78.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 74.22 110.849 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -75.41 -27.07 58.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 75.55 110.926 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -65.86 -42.39 90.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 73.14 110.859 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.7 mm -68.37 -24.15 29.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 75.32 111.067 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -77.26 75.1 3.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 73.33 110.877 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.2 t -62.13 -18.92 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 74.11 111.04 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -82.86 -0.47 48.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.462 . . . . 74.41 110.894 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.12 46.48 50.86 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.721 -0.752 . . . . 72.21 112.457 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.2 p30 -105.93 -15.58 14.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 74.1 110.875 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.86 12.72 65.23 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.669 -0.777 . . . . 71.02 112.501 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.701 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -134.94 139.92 45.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.846 0.355 . . . . 64.21 111.079 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.609 ' O ' HD12 ' A' ' 53' ' ' ILE . 28.0 m -123.57 119.98 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 74.12 111.123 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.509 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -84.75 177.77 7.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 73.12 110.83 -179.825 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.765 ' HB2' HD11 ' A' ' 38' ' ' LEU . 39.7 p90 -47.04 -45.06 21.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 63.44 110.889 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.89 -48.35 81.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 70.51 110.897 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.454 ' OE1' HG12 ' A' ' 17' ' ' VAL . 6.4 mt-10 -55.49 -42.09 73.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 65.54 110.857 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.8 t -61.3 -54.81 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 74.51 111.114 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -36.27 64.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 64.11 110.912 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.53 -41.94 83.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 61.0 111.093 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -51.7 -52.12 50.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 63.32 110.888 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.18 -29.4 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 61.32 111.126 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -63.7 -23.27 67.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 73.14 110.899 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -73.4 -6.61 47.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 73.23 110.934 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -109.71 -23.05 11.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 74.4 110.9 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -175.48 -173.5 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 75.13 110.899 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.89 94.93 4.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 54.43 111.082 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pt -133.6 102.16 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 44.13 111.141 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 104.97 14.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 73.53 110.955 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -123.66 101.25 7.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 71.51 110.897 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.89 -43.31 55.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 75.14 110.874 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -50.04 32.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 65.01 110.917 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 tp -59.22 -43.43 92.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 72.31 110.935 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.765 HD11 ' HB2' ' A' ' 19' ' ' TYR . 2.3 tm? -59.27 -45.17 91.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 73.54 110.895 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -51.89 66.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 72.23 110.948 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.65 -52.53 63.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 60.31 110.943 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.21 -31.65 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 74.4 111.151 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.413 ' HA ' HG22 ' A' ' 45' ' ' ILE . 51.2 t80 -66.39 -37.83 86.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 73.53 110.944 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -73.54 -41.38 63.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 72.42 110.873 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.83 -42.25 64.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 73.23 110.84 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.413 HG22 ' HA ' ' A' ' 42' ' ' PHE . 1.2 tt -65.78 -30.73 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 73.4 111.088 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.576 ' HA ' HG23 ' A' ' 53' ' ' ILE . 8.8 t0 -92.85 122.03 34.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 73.43 110.903 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.6 -44.1 97.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 55.14 111.113 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.7 p30 -108.36 -16.72 14.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 74.21 110.857 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.461 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.48 32.99 69.75 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.74 -0.743 . . . . 15.4 112.538 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.418 ' C ' ' H ' ' A' ' 52' ' ' GLU . 39.2 p-10 -86.66 80.5 8.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.947 0.403 . . . . 72.22 110.929 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.13 -45.3 0.44 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.733 -0.746 . . . . 33.33 112.462 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.701 ' OE1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -152.59 166.33 32.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 72.54 110.891 -179.836 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.609 HD12 ' O ' ' A' ' 17' ' ' VAL . 1.0 OUTLIER -97.09 129.91 46.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 64.14 111.219 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -81.98 159.42 23.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.839 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -53.08 -45.54 68.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 75.14 110.925 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -59.07 -49.28 78.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 74.23 110.852 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -58.69 -42.86 89.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 75.43 110.877 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -62.09 -43.07 99.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.916 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.51 -51.33 69.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 70.25 111.131 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -62.61 -27.64 69.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 75.1 110.921 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 8.6 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 61.15 110.875 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.846 0.355 . . . . 72.51 110.933 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.1 -25.65 13.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 50.23 111.053 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mt -62.5 -38.78 91.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 63.53 110.919 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -62.68 -47.7 82.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.14 110.856 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -73.95 -26.84 60.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 65.11 110.892 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -67.09 -43.18 83.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.421 . . . . 74.13 110.877 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.3 mm -68.38 -23.38 28.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 51.13 111.109 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -78.52 75.63 5.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 61.34 110.868 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.56 -19.69 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 64.2 111.114 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -83.02 -1.07 51.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 73.31 110.868 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 49.38 43.63 35.06 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.81 -0.71 . . . . 62.44 112.445 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.4 p30 -100.62 -16.77 17.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.351 . . . . 71.02 110.908 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.22 17.32 72.01 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.725 -0.75 . . . . 62.54 112.476 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.592 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -133.76 139.31 46.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 73.41 111.126 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.801 HG13 ' HB3' ' A' ' 21' ' ' GLU . 41.8 t -124.53 112.65 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 62.52 111.061 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.47 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -85.96 175.9 8.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.084 -0.507 . . . . 70.12 110.889 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -48.66 -45.76 39.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 70.44 110.91 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.93 -48.35 82.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 74.31 110.921 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.801 ' HB3' HG13 ' A' ' 17' ' ' VAL . 1.1 mt-10 -56.63 -38.58 72.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 75.22 110.887 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.424 HG23 HG12 ' A' ' 17' ' ' VAL . 55.5 t -63.53 -54.9 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 74.32 111.076 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.18 -35.74 67.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 75.11 110.886 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.75 -43.31 76.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 30.31 111.093 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -51.61 -52.32 48.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.904 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.69 -29.34 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 60.24 111.075 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.1 -23.28 66.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 71.53 110.85 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -73.35 -6.58 47.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 71.33 110.846 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -108.86 -25.3 10.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 61.43 110.909 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -176.11 -173.16 0.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 74.25 110.889 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.75 95.13 5.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 62.23 111.12 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pt -133.2 102.07 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 74.43 111.115 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.17 105.22 13.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 73.42 110.919 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -122.89 101.69 7.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 74.44 110.86 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -74.69 -42.39 58.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 73.3 110.83 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -71.9 -48.9 42.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.899 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 tp -61.24 -38.16 85.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 73.34 110.975 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.606 HD22 ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -62.72 -48.77 77.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 73.24 110.889 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.505 ' N ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -62.65 -51.68 66.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 73.53 110.96 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -52.22 65.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 52.03 110.939 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.1 mm -61.87 -32.36 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.32 111.148 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -60.62 -50.09 74.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 74.44 110.842 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -71.79 -32.86 68.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 71.54 110.904 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 m -68.39 -50.62 51.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 73.32 110.812 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.6 mt -66.15 -34.17 68.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 72.33 111.105 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.668 ' HA ' HG23 ' A' ' 53' ' ' ILE . 8.2 t0 -84.46 120.76 26.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 72.3 110.891 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.05 -40.74 95.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 73.43 111.103 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.4 p30 -108.56 -16.14 14.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 71.41 110.884 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.427 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.5 33.11 70.29 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 61.34 112.493 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.423 ' C ' ' H ' ' A' ' 52' ' ' GLU . 37.6 p-10 -85.65 79.72 9.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.879 0.371 . . . . 74.35 110.895 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.63 -45.41 0.38 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 45.02 112.488 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.592 ' OE1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -152.04 165.49 34.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 64.11 110.929 -179.85 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.757 HD12 ' O ' ' A' ' 17' ' ' VAL . 1.3 mp -94.15 124.55 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 61.13 111.111 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -76.81 159.41 30.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 52.4 110.823 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -53.85 -45.07 70.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 74.44 110.98 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -58.19 -50.4 73.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 70.31 110.884 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -59.38 -43.88 92.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 71.35 110.902 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -63.84 -41.69 97.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 73.31 110.886 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.8 -51.86 67.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 73.14 111.064 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -66.02 -25.15 66.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 74.31 110.922 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 60.35 110.867 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.865 0.364 . . . . 72.23 110.958 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.48 -25.24 15.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 75.03 111.134 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mt -63.12 -37.7 88.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.42 110.942 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -62.78 -48.18 80.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 72.43 110.889 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -74.8 -27.01 60.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 73.22 110.894 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.44 -45.15 80.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.869 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.62 -28.49 40.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 73.01 111.104 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -73.6 75.61 1.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 75.13 110.85 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 t -61.52 -17.5 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 71.44 111.114 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -82.61 -1.42 50.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.907 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.72 42.1 27.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 70.24 112.434 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 p30 -98.98 -17.0 18.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.835 0.35 . . . . 75.54 110.84 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.01 17.82 68.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 70.01 112.416 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.583 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -135.32 140.55 45.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 51.43 111.082 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.768 ' O ' HD12 ' A' ' 53' ' ' ILE . 13.1 t -124.15 111.63 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 73.04 111.116 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.478 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -86.45 176.52 7.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 75.31 110.82 -179.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.677 ' HB2' HD11 ' A' ' 38' ' ' LEU . 38.9 p90 -47.85 -45.59 30.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.05 -0.523 . . . . 71.44 110.96 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.67 -48.35 81.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 73.44 110.937 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.689 ' HB3' HG13 ' A' ' 17' ' ' VAL . 1.1 mt-10 -56.31 -40.29 74.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 70.52 110.883 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.463 HG23 HG12 ' A' ' 17' ' ' VAL . 41.6 t -62.29 -55.2 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 63.2 111.117 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -35.83 65.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.874 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.49 -42.36 78.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 54.25 111.087 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -51.51 -51.83 51.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 63.1 110.926 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.84 -29.32 40.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 70.4 111.167 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.01 -23.94 64.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 62.33 110.844 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -8.09 54.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 73.12 110.886 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -106.4 -26.65 11.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 72.33 110.881 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -176.25 -173.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 75.15 110.825 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.7 94.88 4.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 65.13 111.121 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.1 mm -133.06 102.32 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 64.25 111.175 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.99 105.17 12.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.891 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -123.5 101.61 7.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.808 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.61 -42.61 58.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 62.12 110.865 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -49.32 35.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 71.52 110.889 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tp -60.59 -39.14 86.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 52.01 110.917 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.677 HD11 ' HB2' ' A' ' 19' ' ' TYR . 2.0 tm? -62.86 -46.84 86.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 51.15 110.893 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.21 -51.98 64.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 75.43 110.916 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.45 -52.03 66.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 54.24 110.911 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.5 mm -60.93 -33.28 54.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 64.03 111.115 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -60.32 -50.31 74.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 63.13 110.858 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -71.9 -29.39 64.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 73.14 110.919 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.44 -51.1 31.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 75.25 110.838 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.731 HG23 ' CE2' ' A' ' 61' ' ' PHE . 70.7 mt -66.52 -37.87 80.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 71.41 111.112 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.598 ' HA ' HG23 ' A' ' 53' ' ' ILE . 8.6 t0 -77.8 121.51 24.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 75.41 110.886 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.42 -42.2 98.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 74.41 111.009 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.5 p30 -108.35 -16.52 14.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.419 . . . . 72.23 110.826 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.423 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.63 32.87 70.16 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 72.13 112.498 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.3 p-10 -85.52 79.63 9.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 63.22 110.894 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.86 -45.38 0.41 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.667 -0.777 . . . . 74.23 112.415 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.583 ' OE1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -152.57 165.54 34.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 72.31 110.941 -179.866 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.768 HD12 ' O ' ' A' ' 17' ' ' VAL . 1.1 mp -95.47 124.74 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 74.14 111.153 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.22 159.0 31.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 62.14 110.861 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -53.75 -45.7 70.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 74.54 110.945 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -58.62 -49.03 78.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 63.11 110.838 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -58.41 -40.64 83.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 62.02 110.894 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -64.94 -42.12 94.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 63.13 110.875 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.62 -52.12 65.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 55.3 111.103 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -66.56 -24.61 66.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 71.5 110.892 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.731 ' CE2' HG23 ' A' ' 45' ' ' ILE . 6.8 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 74.24 110.89 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.815 0.34 . . . . 65.44 110.841 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.67 -25.12 16.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 65.5 111.107 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.81 -39.22 93.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.928 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.403 ' CE2' HG23 ' A' ' 17' ' ' VAL . 2.7 t80 -63.46 -47.11 83.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 73.54 110.873 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.35 -26.8 61.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 71.2 110.955 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.9 -42.29 77.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 74.54 110.862 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.0 mm -68.0 -23.51 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.492 . . . . 73.35 111.128 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -73.69 75.36 1.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 75.1 110.828 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.6 t -61.3 -17.5 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 71.24 111.191 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.24 -1.05 57.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 72.43 110.977 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.48 47.26 44.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 44.22 112.449 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -105.53 -15.65 14.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.861 0.363 . . . . 64.53 110.877 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.44 16.46 67.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 61.55 112.46 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.583 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -134.34 136.89 43.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.809 0.338 . . . . 54.42 111.111 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.858 HG13 ' HB3' ' A' ' 21' ' ' GLU . 53.6 t -124.73 112.17 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 70.4 111.087 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.481 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -83.46 175.78 9.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 62.42 110.832 -179.818 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -49.1 -46.21 44.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 75.1 110.915 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.2 -49.5 77.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.072 -0.513 . . . . 54.13 110.892 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.858 ' HB3' HG13 ' A' ' 17' ' ' VAL . 3.8 mt-10 -56.61 -38.04 71.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 63.3 110.91 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.486 HG23 HG12 ' A' ' 17' ' ' VAL . 54.4 t -63.8 -54.88 26.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 72.24 111.148 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.459 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -55.0 -37.76 66.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 71.12 110.852 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.04 -41.5 81.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 61.44 111.148 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -52.07 -51.83 55.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 75.41 110.887 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.02 -29.51 40.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 72.32 111.096 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -22.8 67.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 54.23 110.837 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -72.61 -7.72 51.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 74.34 110.849 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -108.18 -21.89 12.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 74.24 110.913 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -175.99 -173.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 70.31 110.809 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.93 94.83 4.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 73.31 111.127 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.53 HD12 ' ND2' ' A' ' 34' ' ' ASN . 1.2 pt -133.45 102.14 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 74.55 111.096 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.1 104.59 13.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 75.32 110.884 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.548 ' CG ' HD12 ' A' ' 37' ' ' LEU . 70.8 m-80 -123.69 101.56 7.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 73.32 110.93 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -42.1 59.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 72.52 110.953 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -49.42 41.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 74.44 110.852 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.548 HD12 ' CG ' ' A' ' 34' ' ' ASN . 26.6 mt -61.49 -37.56 84.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 72.54 110.922 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.509 HD13 ' C ' ' A' ' 38' ' ' LEU . 1.8 tm? -62.27 -47.72 83.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 74.41 110.921 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.5 -51.82 63.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 64.23 110.964 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.98 -51.91 67.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 75.43 110.891 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.9 mt -61.77 -32.71 54.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 71.01 111.152 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -59.99 -51.4 69.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 74.53 110.85 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -30.88 65.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 72.55 110.886 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -68.79 -49.72 56.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 71.2 110.881 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 58.2 mt -65.84 -33.94 66.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 73.22 111.102 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.662 ' HA ' HG23 ' A' ' 53' ' ' ILE . 7.8 t0 -83.32 120.74 26.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 63.14 110.896 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.428 ' HB3' ' HG2' ' A' ' 57' ' ' GLU . . . -65.31 -40.85 94.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 42.23 111.061 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.3 p-10 -108.71 -15.84 14.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 73.4 110.819 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.438 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 59.22 33.12 73.79 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.718 -0.753 . . . . 64.33 112.482 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.412 ' C ' ' H ' ' A' ' 52' ' ' GLU . 36.8 p-10 -85.12 79.73 9.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.906 0.384 . . . . 71.45 110.941 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.63 -45.69 0.39 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 74.53 112.499 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.583 ' OE1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -152.23 164.79 36.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.36 . . . . 60.33 110.889 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.783 HD12 ' O ' ' A' ' 17' ' ' VAL . 1.4 mp -91.68 118.81 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 74.35 111.141 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -76.28 159.08 30.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 70.24 110.876 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -52.95 -45.66 67.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 52.41 110.898 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -58.41 -50.07 74.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 73.51 110.912 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.428 ' HG2' ' HB3' ' A' ' 47' ' ' ALA . 25.4 mt-10 -61.4 -42.47 98.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 65.41 110.874 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -64.16 -43.56 94.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 73.34 110.875 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.9 -51.86 67.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 50.04 111.134 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -66.01 -24.92 66.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 74.34 110.931 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.2 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 62.32 110.891 179.934 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.484 ' N ' HD11 ' A' ' 5' ' ' LEU . 1.1 mpt? . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.759 0.314 . . . . 62.34 110.839 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.15 -169.71 0.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 43.5 111.118 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -89.46 -19.53 25.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 73.24 110.901 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.64 -26.32 13.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 62.23 111.122 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.484 HD11 ' N ' ' A' ' 1' ' ' MET . 5.5 mt -62.17 -37.82 86.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 64.43 110.896 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.6 ' CE2' HG22 ' A' ' 17' ' ' VAL . 4.7 t80 -61.67 -49.18 77.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 73.21 110.918 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.59 -27.0 60.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.101 -0.5 . . . . 72.14 110.842 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -65.55 -43.4 90.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 62.51 110.9 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.447 HD11 ' CE1' ' A' ' 25' ' ' PHE . 32.3 mm -68.56 -22.63 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 70.43 111.135 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.8 78.23 9.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 65.22 110.874 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.14 -16.93 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 75.34 111.119 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -83.78 -1.51 54.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 73.21 110.904 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 49.0 43.76 31.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.725 -0.75 . . . . 71.44 112.514 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.2 p30 -100.32 -15.73 17.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 60.24 110.867 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.88 10.34 77.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.679 -0.772 . . . . 74.21 112.498 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.678 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -134.65 137.75 43.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.905 0.383 . . . . 72.21 111.09 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.696 HG12 ' OE1' ' A' ' 21' ' ' GLU . 35.3 m -123.98 117.74 51.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.441 . . . . 71.54 111.115 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.509 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -83.73 177.57 8.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 54.21 110.907 -179.872 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.443 ' HB2' HD11 ' A' ' 38' ' ' LEU . 40.1 p90 -47.35 -44.8 24.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.35 110.898 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -58.48 -47.05 85.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 75.44 110.816 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.696 ' OE1' HG12 ' A' ' 17' ' ' VAL . 1.9 mm-40 -56.6 -42.57 78.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 75.05 110.886 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.4 t -61.39 -54.7 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 73.32 111.131 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.443 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -55.62 -35.14 65.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 73.04 110.937 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.07 -42.89 79.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 74.45 111.106 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.447 ' CE1' HD11 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -51.62 -52.65 45.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 63.3 110.828 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -29.6 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 75.1 111.128 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.23 -23.57 67.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 75.43 110.905 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -73.67 -6.92 49.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 73.23 110.933 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -108.32 -24.24 11.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.856 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -175.59 -173.8 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 71.44 110.822 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.78 95.19 5.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 71.03 111.058 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.4 mt -132.83 102.46 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 61.14 111.107 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.78 105.06 12.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 73.51 110.893 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -123.28 101.9 7.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 74.45 110.885 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -42.43 59.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 72.02 110.887 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -49.12 37.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 72.11 110.88 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tp -60.99 -38.86 87.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.31 110.891 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.508 HD22 ' O ' ' A' ' 38' ' ' LEU . 1.8 tm? -62.69 -47.94 81.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 71.34 110.916 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -51.4 64.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 74.42 110.902 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.7 -51.7 68.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 62.52 110.96 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.4 mm -62.39 -32.98 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 72.44 111.166 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -59.42 -52.41 65.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 73.54 110.853 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.0 -31.56 66.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 73.01 110.902 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 m -67.23 -50.95 58.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 75.14 110.787 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.7 mt -67.23 -28.55 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 64.2 111.085 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.652 ' HA ' HG23 ' A' ' 53' ' ' ILE . 7.9 t0 -87.23 121.5 29.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 44.14 110.875 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.09 -42.08 97.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 65.44 111.034 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.0 p30 -108.89 -16.26 14.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.243 -0.435 . . . . 72.33 110.865 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.452 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.6 33.03 70.39 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.727 -0.749 . . . . 75.34 112.481 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.2 p-10 -84.94 80.12 9.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 65.15 110.88 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.83 -45.35 0.4 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.802 -0.713 . . . . 65.42 112.534 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.678 ' OE1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -152.22 165.36 35.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 62.43 110.898 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.652 HG23 ' HA ' ' A' ' 46' ' ' ASP . 1.2 mp -94.15 124.81 46.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 65.25 111.141 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.91 159.83 29.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 65.05 110.893 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -55.79 -46.42 78.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 73.13 110.971 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.46 -48.38 80.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 54.33 110.928 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -58.22 -42.25 85.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.499 . . . . 75.31 110.861 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -63.34 -43.73 96.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 74.33 110.879 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.18 -51.61 68.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 64.14 111.067 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -24.92 66.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 65.13 110.946 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -81.27 -31.65 33.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.86 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -57.08 118.27 4.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 74.31 110.859 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.2 3.3 88.95 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 62.25 112.492 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.7 t 50.79 54.58 10.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 72.03 110.836 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 tt -95.53 16.64 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 73.54 111.191 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 74.2 110.901 179.947 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . 0.603 'CA ' ' O ' ' A' ' 52' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.7 mtt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.794 0.331 . . . . 73.12 110.893 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.7 115.39 20.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 55.12 111.046 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 64.63 14.64 9.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 75.12 110.907 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.26 -27.55 69.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 62.42 111.113 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mt -63.41 -35.88 81.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 45.35 110.936 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.587 ' HE2' HG22 ' A' ' 17' ' ' VAL . 4.1 t80 -62.55 -49.48 75.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 73.32 110.89 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -75.63 -26.89 58.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 64.51 110.898 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -65.82 -43.23 89.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 62.32 110.895 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.0 mm -68.36 -23.89 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 65.21 111.169 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.87 75.17 4.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 72.53 110.855 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.2 t -61.51 -18.44 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 64.04 111.105 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -82.85 -0.82 49.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 64.21 110.88 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.68 45.25 48.11 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.803 -0.713 . . . . 73.4 112.434 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.5 p30 -104.11 -15.81 15.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 74.45 110.878 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.65 12.85 64.93 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.778 -0.725 . . . . 54.52 112.563 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.702 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -134.73 138.93 44.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 72.3 111.164 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.684 ' O ' HD12 ' A' ' 53' ' ' ILE . 35.7 m -123.9 118.81 55.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 60.32 111.187 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.504 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -84.27 178.06 7.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 62.21 110.857 -179.768 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -47.04 -45.62 21.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 74.01 110.858 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -58.4 -47.56 83.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 70.4 110.916 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' OE1' HG12 ' A' ' 17' ' ' VAL . 5.8 mt-10 -56.18 -41.64 75.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 75.5 110.892 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.22 -54.89 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 73.35 111.127 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.561 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -54.65 -37.41 65.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 73.53 110.843 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.19 -40.95 86.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 73.13 111.076 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -51.82 -51.88 53.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 73.5 110.811 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.87 -29.52 40.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.148 -0.478 . . . . 64.54 111.175 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.49 -23.28 67.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 71.54 110.896 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.97 -7.26 50.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 71.42 110.857 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -107.66 -38.56 5.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 71.1 110.923 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.59 -173.44 3.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 65.32 110.863 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.91 95.22 5.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 72.11 111.097 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.45 ' O ' HG23 ' A' ' 32' ' ' ILE . 3.2 tp -133.41 102.38 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 74.35 111.17 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.93 104.98 11.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 75.01 110.918 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -123.83 101.78 7.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 72.24 110.907 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -74.62 -42.36 58.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 72.21 110.942 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -48.79 42.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 63.14 110.84 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tp -61.9 -37.54 84.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.26 -0.427 . . . . 75.34 110.887 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.561 HD23 ' HG2' ' A' ' 23' ' ' LYS . 1.7 tm? -62.58 -48.2 80.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 64.34 110.943 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.5 -51.36 65.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 74.03 110.897 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.96 -52.01 66.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 63.33 110.887 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.7 mm -61.96 -32.97 55.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.177 -0.465 . . . . 53.14 111.105 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -59.46 -52.76 64.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 74.41 110.862 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.04 -31.79 66.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 73.45 110.915 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m -66.96 -51.22 57.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 72.33 110.903 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 53.0 mt -66.56 -26.26 37.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 73.22 111.131 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.621 ' HA ' HG23 ' A' ' 53' ' ' ILE . 8.1 t0 -88.49 121.84 31.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 64.43 110.867 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.12 -43.33 98.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 63.21 111.063 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.7 p30 -108.64 -15.95 14.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 71.34 110.845 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.466 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.79 33.3 72.51 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.697 -0.763 . . . . 72.23 112.468 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -85.42 80.22 9.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 73.44 110.886 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.91 -45.65 0.42 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.811 -0.709 . . . . 63.32 112.474 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.702 ' OE1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -152.49 165.94 33.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 53.4 110.898 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.684 HD12 ' O ' ' A' ' 17' ' ' VAL . 1.2 mp -95.46 127.46 47.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 73.4 111.102 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -79.84 159.78 26.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 74.43 110.888 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -54.8 -44.81 74.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 75.22 110.95 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.79 -46.41 90.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 73.21 110.89 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -60.46 -41.39 94.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.848 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -64.16 -45.4 88.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 75.43 110.918 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.66 -51.68 68.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 72.44 111.08 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -65.3 -25.16 67.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 73.34 110.905 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -80.42 -33.03 37.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 74.53 110.88 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -60.78 118.22 6.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.142 -0.481 . . . . 71.41 110.93 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.84 3.64 90.46 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.783 -0.723 . . . . 75.4 112.51 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.3 t -93.99 27.27 2.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 44.32 110.873 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.437 HG22 ' O ' ' A' ' 65' ' ' ILE . 6.1 mt -92.51 16.57 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.051 -0.522 . . . . 51.31 111.096 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 72.43 110.923 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . 0.609 'CA ' ' O ' ' A' ' 52' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 mtp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.743 0.306 . . . . 72.44 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.77 -68.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 75.35 111.167 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.41 -22.13 22.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 75.04 110.952 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.48 -26.49 13.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 61.22 111.023 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mt -61.85 -38.04 86.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 55.13 110.912 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.646 ' CE2' HG22 ' A' ' 17' ' ' VAL . 3.4 t80 -61.23 -48.86 79.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 63.1 110.868 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -26.82 59.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 73.51 110.899 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -65.82 -42.0 91.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 73.13 110.853 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.56 HD11 ' CE1' ' A' ' 25' ' ' PHE . 27.8 mm -68.29 -22.83 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 71.41 111.154 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.51 77.2 8.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 73.34 110.894 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.9 t -64.08 -15.33 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 74.13 111.136 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -82.75 -0.81 49.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 75.21 110.939 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.43 46.68 45.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.64 -0.791 . . . . 51.42 112.506 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.5 p30 -107.86 -15.99 14.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 71.53 110.85 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.24 11.41 75.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 30.32 112.487 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.689 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -134.88 137.45 43.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 73.15 111.069 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.646 HG22 ' CE2' ' A' ' 6' ' ' PHE . 31.0 m -123.95 118.45 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 74.45 111.068 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.524 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -82.57 177.39 8.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 54.03 110.876 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.406 ' HB2' HD11 ' A' ' 38' ' ' LEU . 37.9 p90 -47.75 -45.64 29.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 73.21 110.935 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -46.57 83.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 65.54 110.913 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.518 ' OE1' HG12 ' A' ' 17' ' ' VAL . 6.7 mt-10 -57.09 -41.71 79.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 75.41 110.914 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 65.6 t -61.79 -54.7 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 71.34 111.136 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.584 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -55.96 -35.24 66.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.906 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.38 -42.56 78.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 73.44 111.091 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CE1' HD11 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -51.84 -52.51 48.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 71.14 110.869 -179.898 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.36 -29.59 42.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.102 -0.499 . . . . 74.14 111.16 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -64.05 -23.55 67.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 75.24 110.881 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -73.53 -7.17 50.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 74.11 110.9 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -108.34 -23.08 12.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 75.4 110.883 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -175.55 -174.01 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 72.0 110.849 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.74 95.14 5.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 63.11 111.132 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.518 HD12 HD22 ' A' ' 34' ' ' ASN . 1.2 pt -132.9 102.22 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 75.22 111.085 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.49 104.85 13.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 64.43 110.937 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.518 HD22 HD12 ' A' ' 32' ' ' ILE . 71.4 m-80 -123.42 102.01 7.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 70.3 110.895 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.26 -42.52 59.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.115 -0.493 . . . . 74.12 110.878 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -72.19 -48.8 40.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 73.11 110.965 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.13 -38.91 88.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.939 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.584 HD23 ' HG2' ' A' ' 23' ' ' LYS . 1.8 tm? -62.75 -48.0 81.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 55.11 110.927 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -51.44 64.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 74.34 110.894 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.72 -51.85 67.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 72.31 110.867 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.4 mm -62.11 -33.17 57.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 73.31 111.217 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -59.17 -52.05 67.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 74.42 110.952 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.21 -31.33 65.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 72.12 110.908 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.0 m -67.38 -50.68 58.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 72.32 110.858 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 59.1 mt -66.44 -34.79 72.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 64.24 111.153 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.671 ' HA ' HG23 ' A' ' 53' ' ' ILE . 7.3 t0 -81.19 120.6 25.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 74.32 110.84 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.429 ' HB3' ' HG2' ' A' ' 57' ' ' GLU . . . -64.92 -40.78 95.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 71.43 111.159 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.3 p30 -109.01 -16.49 14.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 64.14 110.853 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.456 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.38 33.04 69.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 62.33 112.462 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.411 ' C ' ' H ' ' A' ' 52' ' ' GLU . 37.6 p-10 -84.91 80.35 9.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 75.44 110.941 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.9 -45.61 0.42 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.827 -0.702 . . . . 51.43 112.44 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.689 ' OE1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -152.07 164.79 36.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 74.32 110.868 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.671 HG23 ' HA ' ' A' ' 46' ' ' ASP . 1.3 mp -92.29 120.25 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 73.12 111.169 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.05 159.68 28.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.883 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -53.89 -46.26 71.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 74.31 110.908 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.29 -50.16 74.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.43 110.922 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.429 ' HG2' ' HB3' ' A' ' 47' ' ' ALA . 25.1 mt-10 -60.11 -41.86 93.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 70.13 110.901 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -62.59 -44.71 95.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 73.4 110.879 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.47 -51.61 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 73.3 111.179 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -25.12 67.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 63.12 110.902 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -79.15 -34.12 43.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 72.31 110.902 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -61.21 118.19 6.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 74.51 110.911 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.05 3.59 90.52 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.725 -0.75 . . . . 74.25 112.544 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.1 t -93.8 24.76 3.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 65.33 110.838 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.478 HD12 ' H ' ' A' ' 65' ' ' ILE . 1.8 mp -92.48 16.52 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 72.24 111.152 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 65.15 110.864 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . 0.603 'CA ' ' O ' ' A' ' 52' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.8 mtm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.778 0.323 . . . . 63.12 110.903 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.17 -70.67 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 74.14 111.087 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.0 pm0 -111.62 -22.03 11.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 72.23 110.833 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.25 -26.59 12.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 65.32 111.083 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 mt -61.61 -39.59 91.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 72.3 110.859 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.401 ' CE2' HG23 ' A' ' 17' ' ' VAL . 2.7 t80 -61.55 -47.22 86.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 74.11 110.919 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -74.15 -26.9 60.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 73.21 110.889 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -66.97 -41.67 86.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 61.31 110.872 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.9 mm -68.35 -23.62 28.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 75.53 111.1 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.764 ' OD1' 'CA ' ' A' ' 101' ' ' ' CA' . 2.8 m-20 -78.42 77.2 4.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 50.15 110.893 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.08 -20.65 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 61.24 111.094 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -82.97 -0.98 51.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 63.22 110.874 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.03 45.89 41.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 62.32 112.53 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.9 p30 -104.01 -16.58 15.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 72.41 110.904 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.85 19.82 71.86 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.741 -0.742 . . . . 65.21 112.504 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.578 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -133.68 135.73 44.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.335 . . . . 62.3 111.143 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.851 HG13 ' HB3' ' A' ' 21' ' ' GLU . 54.0 t -124.11 113.14 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 63.21 111.139 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.493 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -84.86 175.78 8.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 44.33 110.891 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.624 ' HB2' HD11 ' A' ' 38' ' ' LEU . 38.7 p90 -49.35 -45.86 46.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 74.54 110.867 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.87 -48.29 82.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 73.24 110.939 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.851 ' HB3' HG13 ' A' ' 17' ' ' VAL . 1.1 mt-10 -57.52 -36.77 72.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 72.24 110.859 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.451 HG23 HG12 ' A' ' 17' ' ' VAL . 54.9 t -65.19 -54.92 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 75.22 111.161 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -37.49 68.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 74.35 110.846 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.9 -42.25 77.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 64.53 111.158 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -51.91 -51.67 55.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 62.42 110.85 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.51 -29.5 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 71.33 111.15 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.99 -23.8 63.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 72.34 110.862 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -72.91 -8.29 54.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 74.13 110.879 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -106.5 -24.81 12.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 73.42 110.903 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -175.87 -173.69 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 64.14 110.895 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.78 95.07 5.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 70.51 111.144 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pt -133.31 102.02 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 45.51 111.135 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.95 104.52 14.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.946 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -123.55 101.42 7.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 64.25 110.87 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.77 -42.71 57.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 73.04 110.856 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.32 -49.22 36.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 73.31 110.929 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 tp -60.83 -38.81 86.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 73.15 110.878 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.624 HD11 ' HB2' ' A' ' 19' ' ' TYR . 1.9 tm? -63.07 -47.33 83.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 62.24 110.955 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -51.78 65.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 70.42 110.945 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.34 -52.02 66.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 74.01 110.975 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.9 mm -61.07 -34.14 58.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 64.34 111.077 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -59.27 -51.3 70.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 75.15 110.925 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.16 -29.41 63.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 75.44 110.872 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.39 -51.03 40.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 62.51 110.887 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.722 HG23 ' CE2' ' A' ' 61' ' ' PHE . 69.9 mt -66.8 -40.62 86.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 74.13 111.139 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.647 ' HA ' HG23 ' A' ' 53' ' ' ILE . 7.9 t0 -73.98 121.12 20.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 53.05 110.854 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.409 ' HB3' ' HG2' ' A' ' 57' ' ' GLU . . . -63.84 -42.41 97.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 61.41 111.131 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.6 p30 -108.35 -16.23 14.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 61.21 110.911 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.46 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.52 33.01 69.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.811 -0.709 . . . . 51.32 112.501 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.42 ' C ' ' H ' ' A' ' 52' ' ' GLU . 38.2 p-10 -85.15 79.99 9.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 71.23 110.936 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.91 -45.31 0.41 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.739 . . . . 61.41 112.509 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.621 ' O ' 'CA ' ' A' ' 102' ' ' ' CA' . 0.0 OUTLIER -152.67 165.49 35.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 70.25 110.847 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.743 HD12 ' O ' ' A' ' 17' ' ' VAL . 1.2 mp -94.51 123.7 46.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.499 . . . . 74.41 111.093 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.57 159.02 30.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 73.43 110.79 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -53.25 -44.13 67.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 62.12 110.94 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -58.3 -50.07 74.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 73.42 110.878 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.409 ' HG2' ' HB3' ' A' ' 47' ' ' ALA . 48.1 mt-10 -60.49 -43.76 96.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 75.44 110.899 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -64.19 -40.8 96.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 75.42 110.867 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.82 -51.94 67.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 74.54 111.156 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -65.78 -24.91 67.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 64.21 110.971 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.722 ' CE2' HG23 ' A' ' 45' ' ' ILE . 3.5 t80 -80.57 -35.59 34.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 74.14 110.877 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -61.81 118.6 7.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 73.13 110.951 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.2 3.53 90.16 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.721 -0.752 . . . . 23.31 112.483 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.5 t -93.94 25.83 3.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 71.21 110.873 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.1 tt -92.3 16.52 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.09 -0.505 . . . . 75.24 111.153 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 64.14 110.948 179.915 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . 0.764 'CA ' ' OD1' ' A' ' 10' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . 0.621 'CA ' ' O ' ' A' ' 52' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.735 0.303 . . . . 74.35 110.832 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.691 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -129.63 -71.47 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 74.43 111.125 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.18 -21.76 14.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 72.14 110.908 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.0 -27.33 13.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 72.4 111.105 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 mt -60.64 -39.78 89.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 73.34 110.932 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 3.3 t80 -62.39 -48.03 81.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 71.24 110.897 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.2 -26.85 62.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 62.41 110.89 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -68.26 -42.11 80.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 62.14 110.831 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.8 mm -68.39 -24.09 29.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 73.34 111.153 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -76.03 75.37 2.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 75.32 110.893 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.3 -21.84 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 73.34 111.105 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -83.0 -0.97 51.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 71.45 110.89 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.22 46.24 43.5 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 53.01 112.552 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.7 p30 -104.9 -16.81 14.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 54.23 110.838 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.5 19.34 72.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.745 -0.741 . . . . 64.0 112.526 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.581 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -133.98 135.37 43.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.775 0.321 . . . . 73.0 111.124 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.852 HG13 ' HB3' ' A' ' 21' ' ' GLU . 54.5 t -124.31 113.2 35.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 62.05 111.131 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.486 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -84.49 175.8 9.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 44.43 110.886 -179.844 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.414 ' HB2' HD11 ' A' ' 38' ' ' LEU . 39.0 p90 -49.4 -46.03 46.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.118 -0.492 . . . . 75.23 110.887 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.67 -48.58 81.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 72.21 110.888 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.852 ' HB3' HG13 ' A' ' 17' ' ' VAL . 1.4 mt-10 -57.36 -36.4 71.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 74.14 110.884 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.445 HG23 HG12 ' A' ' 17' ' ' VAL . 53.2 t -65.44 -55.06 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 72.1 111.159 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -38.03 67.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 63.44 110.909 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.58 -41.8 79.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 72.23 111.115 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -51.82 -51.72 54.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 71.22 110.866 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.68 -29.47 41.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 73.11 111.119 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.17 -23.55 64.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 73.2 110.871 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -8.44 55.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 75.31 110.871 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -106.02 -24.89 12.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.445 . . . . 55.52 110.828 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -176.24 -173.91 0.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 64.44 110.815 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.74 95.02 5.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 60.24 111.128 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.9 mt -133.15 102.23 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 61.01 111.119 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.79 104.96 13.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 74.45 110.888 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -123.37 101.49 7.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 75.14 110.893 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -42.64 58.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 64.34 110.924 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -49.05 38.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 64.05 110.901 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tp -60.95 -38.35 85.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 54.05 110.962 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.517 HD22 ' O ' ' A' ' 38' ' ' LEU . 1.7 tm? -62.82 -47.56 82.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 71.13 110.976 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -51.68 65.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 73.12 110.938 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.56 -51.94 66.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 72.12 110.912 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.3 mm -61.29 -32.38 52.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 71.43 111.194 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -60.97 -51.4 69.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 72.33 110.872 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -30.16 64.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.901 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.9 m -70.05 -50.35 42.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 64.45 110.845 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.7 mt -66.08 -32.66 59.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 73.15 111.115 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.665 ' HA ' HG23 ' A' ' 53' ' ' ILE . 7.9 t0 -83.65 120.73 26.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 74.23 110.879 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.433 ' HB3' ' HG2' ' A' ' 57' ' ' GLU . . . -64.69 -41.62 95.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 72.42 111.136 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.8 p30 -108.3 -15.93 14.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 55.14 110.871 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.448 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 59.13 33.11 73.24 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.692 -0.766 . . . . 73.22 112.531 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.416 ' C ' ' H ' ' A' ' 52' ' ' GLU . 38.7 p-10 -86.02 79.86 9.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 72.43 110.86 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.77 -45.51 0.4 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 60.15 112.458 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.609 ' O ' 'CA ' ' A' ' 102' ' ' ' CA' . 0.0 OUTLIER -152.5 165.55 34.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.815 0.341 . . . . 73.42 110.849 -179.796 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.768 HD12 ' O ' ' A' ' 17' ' ' VAL . 1.3 mp -93.37 123.86 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 74.33 111.126 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -76.69 159.4 30.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 74.11 110.856 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -53.81 -44.98 70.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 53.45 110.976 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -49.97 75.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 71.13 110.854 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.433 ' HG2' ' HB3' ' A' ' 47' ' ' ALA . 50.2 mt-10 -59.76 -43.38 94.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 73.12 110.869 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -63.96 -41.73 97.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 72.43 110.908 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.28 -51.77 68.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 31.24 111.116 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -66.33 -24.82 66.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.914 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -80.47 -33.8 36.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 72.44 110.89 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.691 ' CE2' ' HB1' ' A' ' 2' ' ' ALA . 51.8 t80 -64.57 118.63 9.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 70.03 110.964 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.9 3.49 89.23 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.78 -0.724 . . . . 64.11 112.486 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.2 t -93.71 25.03 3.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.737 0.304 . . . . 71.33 110.781 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.436 HG22 ' O ' ' A' ' 65' ' ' ILE . 6.1 mt -92.55 16.53 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 72.52 111.162 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 60.3 110.952 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . 0.609 'CA ' ' O ' ' A' ' 52' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.4 ' HB2' HD21 ' A' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.776 0.322 . . . . 74.23 110.819 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.86 -68.72 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 52.4 111.064 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -91.23 -23.42 20.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.905 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.11 -26.96 12.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 74.05 111.113 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.4 HD21 ' HB2' ' A' ' 1' ' ' MET . 5.3 mt -61.42 -37.83 84.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.442 . . . . 71.41 110.973 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.638 ' CE2' HG22 ' A' ' 17' ' ' VAL . 3.4 t80 -60.61 -49.18 78.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 75.34 110.893 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -26.71 58.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 71.13 110.943 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -65.56 -41.12 93.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 75.21 110.869 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.437 HD11 ' CE1' ' A' ' 25' ' ' PHE . 34.6 mm -68.3 -23.82 28.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 33.14 111.13 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.796 ' OD1' 'CA ' ' A' ' 101' ' ' ' CA' . 4.6 m-20 -79.43 75.09 6.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 73.24 110.942 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.1 t -61.42 -19.27 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 74.33 111.067 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -82.91 -0.55 48.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 62.1 110.921 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.53 46.37 53.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 73.51 112.537 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -102.76 -15.69 16.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.849 0.357 . . . . 62.12 110.825 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.45 8.92 67.65 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.751 -0.738 . . . . 52.31 112.502 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.697 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -134.28 139.44 45.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 63.43 111.09 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.699 HG12 ' OE1' ' A' ' 21' ' ' GLU . 35.5 m -124.05 117.12 49.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 71.25 111.14 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.517 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -82.75 177.47 8.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 65.1 110.825 -179.847 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.413 ' HB2' HD11 ' A' ' 38' ' ' LEU . 39.4 p90 -47.47 -45.4 26.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 72.44 110.971 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.52 -46.58 83.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 71.54 110.971 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.699 ' OE1' HG12 ' A' ' 17' ' ' VAL . 2.2 mm-40 -56.75 -41.57 77.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 72.42 110.943 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.2 t -61.67 -55.05 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 74.32 111.056 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.569 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -56.12 -34.67 66.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 75.43 110.875 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.34 -43.12 78.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 75.33 111.05 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.437 ' CE1' HD11 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -51.48 -52.57 45.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 72.52 110.848 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.54 -29.45 41.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 73.1 111.123 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.48 -23.43 67.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 70.02 110.819 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -73.46 -7.36 51.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 72.24 110.867 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -108.56 -22.39 12.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 70.54 110.944 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -176.22 -173.81 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 74.24 110.905 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.52 95.08 5.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 63.41 111.162 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.452 HG22 ' ND2' ' A' ' 34' ' ' ASN . 40.0 mm -133.17 102.3 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 61.31 111.102 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.78 105.17 13.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 64.12 110.917 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.452 ' ND2' HG22 ' A' ' 32' ' ' ILE . 1.6 m-80 -123.1 101.7 7.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 72.21 110.902 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -41.48 60.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 73.21 110.894 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -50.98 24.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 75.1 110.882 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.403 ' HB3' ' HB3' ' A' ' 34' ' ' ASN . 8.7 tp -60.07 -38.9 84.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.294 -0.412 . . . . 61.53 110.889 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.569 HD23 ' HG2' ' A' ' 23' ' ' LYS . 1.7 tm? -62.05 -47.94 82.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 74.32 110.968 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -51.72 64.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 70.31 110.86 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.83 -51.86 67.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 64.43 110.926 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.3 mm -61.76 -33.26 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 61.12 111.153 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -59.33 -52.14 66.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 73.34 110.868 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -72.27 -31.03 65.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.479 . . . . 74.31 110.877 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.3 m -67.74 -50.99 54.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 73.54 110.855 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 57.4 mt -66.52 -32.78 59.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 74.45 111.169 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.672 ' HA ' HG23 ' A' ' 53' ' ' ILE . 7.5 t0 -83.21 121.06 26.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 74.22 110.888 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.446 ' HB3' ' HG2' ' A' ' 57' ' ' GLU . . . -64.34 -41.49 96.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 71.54 111.057 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.8 p-10 -109.11 -16.37 14.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.302 -0.408 . . . . 72.51 110.857 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.454 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.82 32.92 71.06 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.73 -0.748 . . . . 62.54 112.544 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.414 ' C ' ' H ' ' A' ' 52' ' ' GLU . 35.8 p-10 -84.25 80.06 9.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.809 0.338 . . . . 63.22 110.856 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.76 -45.67 0.4 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.75 -0.738 . . . . 64.34 112.523 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.697 ' OE1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -151.83 165.15 35.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.322 . . . . 75.23 110.933 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 17' ' ' VAL . 1.3 mp -93.51 122.23 44.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 74.0 111.132 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -80.44 159.7 25.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 73.51 110.884 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -53.08 -46.16 68.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 74.1 110.925 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -58.35 -50.2 74.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 73.43 110.917 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.446 ' HG2' ' HB3' ' A' ' 47' ' ' ALA . 35.4 mt-10 -60.29 -41.91 94.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 52.31 110.942 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -62.59 -43.92 97.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 54.13 110.913 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.23 -51.58 68.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 72.34 111.089 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -63.99 -25.14 68.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 71.43 110.928 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -79.05 -35.32 42.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 71.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -59.45 118.29 5.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 73.23 110.89 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.65 3.55 90.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 44.33 112.495 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.1 t -93.83 25.59 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 74.44 110.83 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 65' ' ' ILE . 1.7 mp -92.45 16.59 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 74.33 111.145 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 70.25 110.873 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . 0.796 'CA ' ' OD1' ' A' ' 10' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.835 0.35 . . . . 72.33 110.84 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.78 25.01 6.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 51.21 111.105 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -114.89 -20.03 10.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 72.03 110.871 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.74 -26.31 13.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 70.44 111.116 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mt -62.33 -37.34 85.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 63.23 110.898 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.579 ' HE2' HG22 ' A' ' 17' ' ' VAL . 3.5 t80 -61.72 -48.83 78.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 74.22 110.849 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -75.41 -27.07 58.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 75.55 110.926 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -65.86 -42.39 90.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 73.14 110.859 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.7 mm -68.37 -24.15 29.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 75.32 111.067 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.771 ' OD1' 'CA ' ' A' ' 101' ' ' ' CA' . 6.1 m-20 -77.26 75.1 3.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 73.33 110.877 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.2 t -62.13 -18.92 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 74.11 111.04 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -82.86 -0.47 48.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.462 . . . . 74.41 110.894 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.12 46.48 50.86 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.721 -0.752 . . . . 72.21 112.457 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.2 p30 -105.93 -15.58 14.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 74.1 110.875 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.86 12.72 65.23 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.669 -0.777 . . . . 71.02 112.501 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.701 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -134.94 139.92 45.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.846 0.355 . . . . 64.21 111.079 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.609 ' O ' HD12 ' A' ' 53' ' ' ILE . 28.0 m -123.57 119.98 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 74.12 111.123 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.509 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -84.75 177.77 7.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 73.12 110.83 -179.825 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.765 ' HB2' HD11 ' A' ' 38' ' ' LEU . 39.7 p90 -47.04 -45.06 21.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 63.44 110.889 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.89 -48.35 81.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 70.51 110.897 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.454 ' OE1' HG12 ' A' ' 17' ' ' VAL . 6.4 mt-10 -55.49 -42.09 73.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 65.54 110.857 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.8 t -61.3 -54.81 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 74.51 111.114 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -36.27 64.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 64.11 110.912 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.53 -41.94 83.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 61.0 111.093 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -51.7 -52.12 50.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 63.32 110.888 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.18 -29.4 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 61.32 111.126 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -63.7 -23.27 67.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 73.14 110.899 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -73.4 -6.61 47.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 73.23 110.934 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -109.71 -23.05 11.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 74.4 110.9 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -175.48 -173.5 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 75.13 110.899 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.89 94.93 4.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 54.43 111.082 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pt -133.6 102.16 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 44.13 111.141 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 104.97 14.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 73.53 110.955 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -123.66 101.25 7.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 71.51 110.897 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.89 -43.31 55.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 75.14 110.874 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -50.04 32.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 65.01 110.917 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 tp -59.22 -43.43 92.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 72.31 110.935 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.765 HD11 ' HB2' ' A' ' 19' ' ' TYR . 2.3 tm? -59.27 -45.17 91.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 73.54 110.895 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -51.89 66.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 72.23 110.948 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.65 -52.53 63.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 60.31 110.943 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.21 -31.65 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 74.4 111.151 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.413 ' HA ' HG22 ' A' ' 45' ' ' ILE . 51.2 t80 -66.39 -37.83 86.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 73.53 110.944 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -73.54 -41.38 63.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 72.42 110.873 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.83 -42.25 64.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 73.23 110.84 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.413 HG22 ' HA ' ' A' ' 42' ' ' PHE . 1.2 tt -65.78 -30.73 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 73.4 111.088 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.576 ' HA ' HG23 ' A' ' 53' ' ' ILE . 8.8 t0 -92.85 122.03 34.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 73.43 110.903 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.6 -44.1 97.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 55.14 111.113 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.7 p30 -108.36 -16.72 14.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 74.21 110.857 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.461 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.48 32.99 69.75 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.74 -0.743 . . . . 15.4 112.538 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.755 ' OD1' 'CA ' ' A' ' 102' ' ' ' CA' . 39.2 p-10 -86.66 80.5 8.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.947 0.403 . . . . 72.22 110.929 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.13 -45.3 0.44 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.733 -0.746 . . . . 33.33 112.462 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.701 ' OE1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -152.59 166.33 32.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 72.54 110.891 -179.836 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.609 HD12 ' O ' ' A' ' 17' ' ' VAL . 1.0 OUTLIER -97.09 129.91 46.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 64.14 111.219 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -81.98 159.42 23.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.839 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -53.08 -45.54 68.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 75.14 110.925 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -59.07 -49.28 78.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 74.23 110.852 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -58.69 -42.86 89.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 75.43 110.877 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -62.09 -43.07 99.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.916 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.51 -51.33 69.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 70.25 111.131 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -62.61 -27.64 69.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 75.1 110.921 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -77.79 -35.0 51.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 61.15 110.875 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -63.4 119.27 9.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 74.35 110.924 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.54 3.6 66.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 52.13 112.495 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.8 t -93.98 23.98 4.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.339 . . . . 64.3 110.817 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.1 tt -92.6 16.62 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 63.11 111.15 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 75.23 110.887 179.931 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . 0.771 'CA ' ' OD1' ' A' ' 10' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . 0.755 'CA ' ' OD1' ' A' ' 50' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.2 mmm . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.799 0.333 . . . . 72.51 110.939 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.533 ' HB1' ' CE1' ' A' ' 62' ' ' TYR . . . -148.84 -75.23 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 53.43 111.117 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.35 -21.86 18.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 72.51 110.933 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.1 -25.65 13.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 50.23 111.053 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mt -62.5 -38.78 91.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 63.53 110.919 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -62.68 -47.7 82.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.14 110.856 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -73.95 -26.84 60.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 65.11 110.892 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -67.09 -43.18 83.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.421 . . . . 74.13 110.877 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.3 mm -68.38 -23.38 28.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 51.13 111.109 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -78.52 75.63 5.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 61.34 110.868 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.56 -19.69 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 64.2 111.114 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -83.02 -1.07 51.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 73.31 110.868 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 49.38 43.63 35.06 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.81 -0.71 . . . . 62.44 112.445 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.4 p30 -100.62 -16.77 17.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.351 . . . . 71.02 110.908 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.22 17.32 72.01 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.725 -0.75 . . . . 62.54 112.476 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.592 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -133.76 139.31 46.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 73.41 111.126 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.801 HG13 ' HB3' ' A' ' 21' ' ' GLU . 41.8 t -124.53 112.65 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 62.52 111.061 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.47 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -85.96 175.9 8.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.084 -0.507 . . . . 70.12 110.889 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -48.66 -45.76 39.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 70.44 110.91 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.93 -48.35 82.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 74.31 110.921 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.801 ' HB3' HG13 ' A' ' 17' ' ' VAL . 1.1 mt-10 -56.63 -38.58 72.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 75.22 110.887 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.424 HG23 HG12 ' A' ' 17' ' ' VAL . 55.5 t -63.53 -54.9 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 74.32 111.076 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.18 -35.74 67.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 75.11 110.886 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.75 -43.31 76.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 30.31 111.093 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -51.61 -52.32 48.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.904 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.69 -29.34 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 60.24 111.075 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.1 -23.28 66.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 71.53 110.85 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -73.35 -6.58 47.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 71.33 110.846 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -108.86 -25.3 10.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 61.43 110.909 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -176.11 -173.16 0.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 74.25 110.889 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.75 95.13 5.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 62.23 111.12 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pt -133.2 102.07 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 74.43 111.115 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.17 105.22 13.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 73.42 110.919 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -122.89 101.69 7.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 74.44 110.86 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -74.69 -42.39 58.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 73.3 110.83 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -71.9 -48.9 42.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.899 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 tp -61.24 -38.16 85.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 73.34 110.975 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.606 HD22 ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -62.72 -48.77 77.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 73.24 110.889 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.505 ' N ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -62.65 -51.68 66.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 73.53 110.96 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -52.22 65.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 52.03 110.939 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.1 mm -61.87 -32.36 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.32 111.148 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -60.62 -50.09 74.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 74.44 110.842 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -71.79 -32.86 68.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 71.54 110.904 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 m -68.39 -50.62 51.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 73.32 110.812 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.6 mt -66.15 -34.17 68.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 72.33 111.105 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.668 ' HA ' HG23 ' A' ' 53' ' ' ILE . 8.2 t0 -84.46 120.76 26.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 72.3 110.891 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.05 -40.74 95.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 73.43 111.103 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.4 p30 -108.56 -16.14 14.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 71.41 110.884 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.427 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.5 33.11 70.29 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 61.34 112.493 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.423 ' C ' ' H ' ' A' ' 52' ' ' GLU . 37.6 p-10 -85.65 79.72 9.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.879 0.371 . . . . 74.35 110.895 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.63 -45.41 0.38 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 45.02 112.488 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.592 ' OE1' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -152.04 165.49 34.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 64.11 110.929 -179.85 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.757 HD12 ' O ' ' A' ' 17' ' ' VAL . 1.3 mp -94.15 124.55 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 61.13 111.111 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -76.81 159.41 30.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 52.4 110.823 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -53.85 -45.07 70.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 74.44 110.98 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -58.19 -50.4 73.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 70.31 110.884 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -59.38 -43.88 92.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 71.35 110.902 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -63.84 -41.69 97.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 73.31 110.886 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.8 -51.86 67.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 73.14 111.064 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -66.02 -25.15 66.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 74.31 110.922 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -79.94 -34.2 39.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 60.35 110.867 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.533 ' CE1' ' HB1' ' A' ' 2' ' ' ALA . 49.0 t80 -63.46 118.16 7.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.915 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.77 3.8 90.37 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.723 -0.751 . . . . 62.12 112.516 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.41 57.79 1.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 74.32 110.872 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.3 tt -92.57 16.5 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 62.2 111.133 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 65.25 110.881 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 mmt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.817 0.341 . . . . 52.31 110.864 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.12 -69.7 0.83 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.415 . . . . 60.14 111.122 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -102.89 -21.5 13.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 72.23 110.958 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.48 -25.24 15.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 75.03 111.134 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mt -63.12 -37.7 88.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.42 110.942 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -62.78 -48.18 80.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 72.43 110.889 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -74.8 -27.01 60.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 73.22 110.894 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.44 -45.15 80.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.869 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.62 -28.49 40.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 73.01 111.104 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -73.6 75.61 1.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 75.13 110.85 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 t -61.52 -17.5 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 71.44 111.114 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -82.61 -1.42 50.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.907 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.72 42.1 27.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 70.24 112.434 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 p30 -98.98 -17.0 18.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.835 0.35 . . . . 75.54 110.84 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.01 17.82 68.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 70.01 112.416 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.583 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -135.32 140.55 45.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 51.43 111.082 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.768 ' O ' HD12 ' A' ' 53' ' ' ILE . 13.1 t -124.15 111.63 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 73.04 111.116 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.478 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -86.45 176.52 7.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 75.31 110.82 -179.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.677 ' HB2' HD11 ' A' ' 38' ' ' LEU . 38.9 p90 -47.85 -45.59 30.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.05 -0.523 . . . . 71.44 110.96 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.67 -48.35 81.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 73.44 110.937 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.689 ' HB3' HG13 ' A' ' 17' ' ' VAL . 1.1 mt-10 -56.31 -40.29 74.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 70.52 110.883 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.463 HG23 HG12 ' A' ' 17' ' ' VAL . 41.6 t -62.29 -55.2 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 63.2 111.117 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -35.83 65.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.874 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.49 -42.36 78.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 54.25 111.087 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -51.51 -51.83 51.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 63.1 110.926 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.84 -29.32 40.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 70.4 111.167 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.01 -23.94 64.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 62.33 110.844 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -8.09 54.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 73.12 110.886 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -106.4 -26.65 11.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 72.33 110.881 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -176.25 -173.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 75.15 110.825 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.7 94.88 4.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 65.13 111.121 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.1 mm -133.06 102.32 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 64.25 111.175 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.99 105.17 12.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.891 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -123.5 101.61 7.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.808 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.61 -42.61 58.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 62.12 110.865 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -49.32 35.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 71.52 110.889 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tp -60.59 -39.14 86.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 52.01 110.917 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.677 HD11 ' HB2' ' A' ' 19' ' ' TYR . 2.0 tm? -62.86 -46.84 86.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 51.15 110.893 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.21 -51.98 64.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 75.43 110.916 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.45 -52.03 66.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 54.24 110.911 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.5 mm -60.93 -33.28 54.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 64.03 111.115 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -60.32 -50.31 74.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 63.13 110.858 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -71.9 -29.39 64.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 73.14 110.919 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.44 -51.1 31.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 75.25 110.838 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.731 HG23 ' CE2' ' A' ' 61' ' ' PHE . 70.7 mt -66.52 -37.87 80.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 71.41 111.112 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.598 ' HA ' HG23 ' A' ' 53' ' ' ILE . 8.6 t0 -77.8 121.51 24.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 75.41 110.886 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.42 -42.2 98.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 74.41 111.009 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.5 p30 -108.35 -16.52 14.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.419 . . . . 72.23 110.826 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.423 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 58.63 32.87 70.16 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 72.13 112.498 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.3 p-10 -85.52 79.63 9.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 63.22 110.894 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.86 -45.38 0.41 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.667 -0.777 . . . . 74.23 112.415 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.612 ' O ' 'CA ' ' A' ' 102' ' ' ' CA' . 0.0 OUTLIER -152.57 165.54 34.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 72.31 110.941 -179.866 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.768 HD12 ' O ' ' A' ' 17' ' ' VAL . 1.1 mp -95.47 124.74 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 74.14 111.153 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.22 159.0 31.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 62.14 110.861 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -53.75 -45.7 70.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 74.54 110.945 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -58.62 -49.03 78.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 63.11 110.838 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -58.41 -40.64 83.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 62.02 110.894 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -64.94 -42.12 94.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 63.13 110.875 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.62 -52.12 65.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 55.3 111.103 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -66.56 -24.61 66.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 71.5 110.892 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.731 ' CE2' HG23 ' A' ' 45' ' ' ILE . 6.8 t80 -81.25 -32.81 33.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 74.24 110.89 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -59.15 118.22 5.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 52.5 110.92 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.36 3.4 72.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.752 . . . . 74.14 112.478 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.4 t 51.14 54.4 11.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 75.12 110.876 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.45 HG22 ' O ' ' A' ' 65' ' ' ILE . 6.1 mt -94.65 16.56 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.509 . . . . 73.4 111.156 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.489 . . . . 74.12 110.868 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . 0.612 'CA ' ' O ' ' A' ' 52' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.3 mtt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.791 0.329 . . . . 74.22 110.861 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.9 -73.51 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 75.24 111.15 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.86 -21.24 13.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 65.44 110.841 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.67 -25.12 16.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 65.5 111.107 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.81 -39.22 93.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.928 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.403 ' CE2' HG23 ' A' ' 17' ' ' VAL . 2.7 t80 -63.46 -47.11 83.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 73.54 110.873 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.35 -26.8 61.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 71.2 110.955 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.9 -42.29 77.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 74.54 110.862 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.0 mm -68.0 -23.51 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.492 . . . . 73.35 111.128 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -73.69 75.36 1.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 75.1 110.828 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.6 t -61.3 -17.5 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 71.24 111.191 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.24 -1.05 57.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 72.43 110.977 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.48 47.26 44.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 44.22 112.449 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -105.53 -15.65 14.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.861 0.363 . . . . 64.53 110.877 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.44 16.46 67.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 61.55 112.46 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.583 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -134.34 136.89 43.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.809 0.338 . . . . 54.42 111.111 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.858 HG13 ' HB3' ' A' ' 21' ' ' GLU . 53.6 t -124.73 112.17 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 70.4 111.087 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.481 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -83.46 175.78 9.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 62.42 110.832 -179.818 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -49.1 -46.21 44.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 75.1 110.915 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.2 -49.5 77.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.072 -0.513 . . . . 54.13 110.892 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.858 ' HB3' HG13 ' A' ' 17' ' ' VAL . 3.8 mt-10 -56.61 -38.04 71.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 63.3 110.91 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.486 HG23 HG12 ' A' ' 17' ' ' VAL . 54.4 t -63.8 -54.88 26.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 72.24 111.148 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.459 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -55.0 -37.76 66.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 71.12 110.852 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.04 -41.5 81.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 61.44 111.148 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -52.07 -51.83 55.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 75.41 110.887 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.02 -29.51 40.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 72.32 111.096 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -22.8 67.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 54.23 110.837 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -72.61 -7.72 51.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 74.34 110.849 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -108.18 -21.89 12.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 74.24 110.913 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -175.99 -173.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 70.31 110.809 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.93 94.83 4.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 73.31 111.127 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.53 HD12 ' ND2' ' A' ' 34' ' ' ASN . 1.2 pt -133.45 102.14 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 74.55 111.096 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.1 104.59 13.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 75.32 110.884 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.548 ' CG ' HD12 ' A' ' 37' ' ' LEU . 70.8 m-80 -123.69 101.56 7.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 73.32 110.93 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -42.1 59.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 72.52 110.953 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -49.42 41.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 74.44 110.852 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.548 HD12 ' CG ' ' A' ' 34' ' ' ASN . 26.6 mt -61.49 -37.56 84.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 72.54 110.922 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.509 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.8 tm? -62.27 -47.72 83.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 74.41 110.921 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.5 -51.82 63.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 64.23 110.964 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.98 -51.91 67.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 75.43 110.891 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.9 mt -61.77 -32.71 54.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 71.01 111.152 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -59.99 -51.4 69.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 74.53 110.85 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -30.88 65.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 72.55 110.886 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -68.79 -49.72 56.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 71.2 110.881 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 58.2 mt -65.84 -33.94 66.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 73.22 111.102 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.662 ' HA ' HG23 ' A' ' 53' ' ' ILE . 7.8 t0 -83.32 120.74 26.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 63.14 110.896 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.428 ' HB3' ' HG2' ' A' ' 57' ' ' GLU . . . -65.31 -40.85 94.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 42.23 111.061 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.3 p-10 -108.71 -15.84 14.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 73.4 110.819 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.438 ' HA2' ' CG ' ' A' ' 46' ' ' ASP . . . 59.22 33.12 73.79 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.718 -0.753 . . . . 64.33 112.482 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.412 ' C ' ' H ' ' A' ' 52' ' ' GLU . 36.8 p-10 -85.12 79.73 9.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.906 0.384 . . . . 71.45 110.941 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.63 -45.69 0.39 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 74.53 112.499 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.604 ' O ' 'CA ' ' A' ' 102' ' ' ' CA' . 0.0 OUTLIER -152.23 164.79 36.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.36 . . . . 60.33 110.889 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.783 HD12 ' O ' ' A' ' 17' ' ' VAL . 1.4 mp -91.68 118.81 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 74.35 111.141 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -76.28 159.08 30.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 70.24 110.876 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -52.95 -45.66 67.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 52.41 110.898 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -58.41 -50.07 74.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 73.51 110.912 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.428 ' HG2' ' HB3' ' A' ' 47' ' ' ALA . 25.4 mt-10 -61.4 -42.47 98.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 65.41 110.874 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -64.16 -43.56 94.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 73.34 110.875 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.9 -51.86 67.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 50.04 111.134 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -66.01 -24.92 66.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 74.34 110.931 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -80.3 -34.19 37.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 62.32 110.891 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -63.67 118.88 8.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 55.54 110.928 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.28 3.51 90.06 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.781 -0.723 . . . . 54.21 112.522 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 38.9 t -93.91 25.39 3.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.894 0.378 . . . . 61.25 110.857 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.506 HD12 ' H ' ' A' ' 65' ' ' ILE . 1.9 mp -92.85 16.51 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 50.45 111.158 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 73.41 110.967 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . 0.604 'CA ' ' O ' ' A' ' 52' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_