data_2k0s_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 2k0s _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.791 0.329 . . . . 0.53 111.119 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -122.1 82.88 2.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.5 110.875 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.46 -50.17 73.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.42 111.076 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -50.66 -40.97 54.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.53 110.928 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -57.88 -55.63 32.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.53 110.845 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -58.72 -33.6 70.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.44 110.871 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.59 -57.12 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.53 111.106 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.4 m -63.35 -34.69 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.54 111.17 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.6 mm -59.54 -56.24 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.55 111.115 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.98 -52.01 55.9 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.44 112.514 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -61.96 -27.35 68.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.54 110.888 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.586 ' O ' HG13 ' A' ' 25' ' ' ILE . 0.8 OUTLIER -64.91 -47.61 87.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.45 111.133 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.75 -29.33 70.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.54 110.927 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -82.52 -47.88 11.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 5.33 110.859 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.586 HG13 ' O ' ' A' ' 22' ' ' ILE . 2.8 pp -58.47 -18.52 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.53 111.121 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.1 mm -42.62 -27.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.53 111.111 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -95.34 -31.03 13.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 4.13 110.891 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 25' ' ' ILE . 13.6 mt-10 -132.4 126.25 32.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 5.42 110.875 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.443 ' HA ' ' CB ' ' A' ' 86' ' ' ALA . 2.6 m-20 -78.94 -47.11 17.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 3.24 110.892 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -47.01 -44.12 20.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 5.03 110.887 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.26 -41.75 38.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 5.43 110.901 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.428 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . 1.5 tt0 -68.77 -41.33 78.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.54 110.892 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -50.24 -44.34 53.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 5.41 110.832 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.68 -57.73 3.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 71.22 110.897 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -54.71 -57.16 12.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 3.21 110.918 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -52.05 -51.59 56.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 4.41 110.904 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.0 t -51.28 -38.41 52.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 4.35 110.833 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -65.44 -53.61 40.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 5.51 110.888 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -35.92 80.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 5.34 110.878 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -61.37 -55.02 36.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 5.42 110.874 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -59.04 -46.74 87.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 5.12 110.913 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.05 -50.35 73.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 5.42 110.937 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -61.3 -55.44 31.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 5.55 110.945 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.34 -29.4 63.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 5.51 110.925 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -91.98 14.31 16.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 5.45 110.873 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -135.65 -79.86 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 5.32 110.893 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -143.29 -172.55 3.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 5.42 110.84 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.45 -169.03 2.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 5.42 110.862 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.7 m -69.26 -164.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.54 110.875 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 63.82 21.86 12.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.54 110.874 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.15 -163.33 1.03 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 3.15 110.924 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 70.88 -173.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.55 110.835 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -169.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.55 110.91 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.5 mp -81.45 -21.43 38.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.54 110.89 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.92 -36.51 14.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.54 110.851 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -69.05 -33.57 73.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.54 110.904 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.446 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -51.15 -59.96 6.63 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.543 0.687 . . . . 0.54 111.157 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.446 ' CD ' ' CB ' ' A' ' 57' ' ' THR . 53.5 Cg_endo -69.79 -51.15 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.54 112.315 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.8 mt -52.64 -40.19 33.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.55 111.137 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -71.67 -51.72 21.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.44 110.869 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -55.28 -51.0 68.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.44 110.924 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -57.6 -57.37 13.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.45 110.923 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -50.78 -63.04 1.25 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.52 110.921 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.5 mm -52.19 -44.13 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.54 111.103 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -60.87 -36.74 79.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.54 110.924 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.0 mt -64.27 -57.1 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.44 111.14 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.94 -49.82 71.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.5 110.907 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -54.48 -42.09 70.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.5 110.892 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -54.96 31.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.53 110.941 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -58.48 -52.34 66.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.53 110.88 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.67 -30.76 71.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.53 110.932 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -61.61 -54.52 41.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.54 110.892 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -62.48 -38.66 90.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.53 110.885 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.89 -50.83 61.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.44 110.873 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.67 -40.03 95.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.55 110.906 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.99 -51.06 77.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.52 111.12 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -83.76 2.73 36.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.51 110.875 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -69.86 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.55 110.859 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.437 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 16.7 mt 39.21 54.88 5.36 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.65 0.738 . . . . 0.54 111.109 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.444 ' HB3' ' CG ' ' A' ' 115' ' ' PHE . 53.8 Cg_endo -69.78 -49.38 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.709 2.273 . . . . 1.42 112.357 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.586 ' O ' ' HA2' ' A' ' 100' ' ' GLY . . . 126.59 -70.83 0.49 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 2.22 112.478 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.749 ' O ' ' N ' ' A' ' 84' ' ' MET . 4.0 t80 -79.22 153.69 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.883 0.373 . . . . 5.13 110.854 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -41.42 77.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 5.13 110.904 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.749 ' N ' ' O ' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -78.39 -66.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 4.14 110.9 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.3 p30 -148.23 132.79 17.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.41 110.899 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.443 ' CB ' ' HA ' ' A' ' 29' ' ' ASP . . . -75.06 -9.7 58.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.43 111.096 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.38 -31.18 1.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.54 110.892 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.2 t -62.8 -43.67 98.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.42 111.146 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -58.62 -54.78 43.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.52 110.845 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.9 t -75.29 -13.28 60.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.52 110.87 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.3 tp -71.19 -64.44 0.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.51 110.933 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -87.8 -85.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.53 110.863 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -133.12 -73.51 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 5.54 110.922 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -161.93 112.78 1.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 5.22 110.87 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.86 1.0 49.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.5 110.886 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -50.57 -40.55 52.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 4.42 110.883 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -53.29 -29.94 35.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 4.51 110.861 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.9 m -153.37 97.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.53 111.131 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.2 t -116.23 -164.69 0.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 4.44 110.839 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.586 ' HA2' ' O ' ' A' ' 81' ' ' GLY . . . -39.97 -32.25 0.35 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.697 -0.763 . . . . 5.24 112.509 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.1 -67.35 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 5.02 110.85 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 tt -81.24 -41.58 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 4.45 111.171 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.434 ' HB3' ' HA2' ' A' ' 81' ' ' GLY . 3.9 mm? -52.28 -60.96 2.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 4.44 110.957 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.51 ' HB3' ' O ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -60.78 -30.41 70.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 5.54 110.896 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.41 -56.66 11.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 4.53 110.85 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.3 mp -90.34 -44.34 9.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 5.45 110.913 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -70.23 0.23 6.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 4.34 110.891 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -41.54 -25.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 5.41 111.096 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 107' ' ' LEU . 85.7 t80 -48.62 -26.57 2.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 5.42 110.91 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.6 t -157.22 67.39 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 5.14 111.147 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -50.29 178.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 5.21 110.902 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.495 ' O ' ' HB3' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -60.13 -12.41 8.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 5.5 110.874 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -37.98 -57.02 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 5.23 110.909 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.67 -54.41 5.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 4.51 111.101 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.444 ' CG ' ' HB3' ' A' ' 80' ' ' PRO . 42.9 m-85 -51.74 -61.5 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.54 110.865 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -57.67 -36.12 71.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 5.4 110.905 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -44.94 -62.09 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 3.41 110.904 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.53 -49.74 10.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.53 110.852 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -53.55 -60.41 3.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.54 110.886 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.458 ' CB ' ' O ' ' A' ' 116' ' ' LYS . 6.8 m -56.11 -45.82 79.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.43 111.159 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -48.88 -45.43 41.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.5 110.884 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -78.87 -57.42 3.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.52 110.911 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -50.82 -56.63 11.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.53 110.833 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.44 -64.01 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.51 111.107 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -49.89 -24.4 2.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.54 110.894 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -78.31 -49.27 13.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.54 110.912 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -68.09 -14.63 63.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.52 110.9 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 112.51 40.68 1.1 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 0.44 112.511 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -39.23 -61.85 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.786 0.326 . . . . 4.32 110.85 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.793 -0.717 . . . . 0.45 112.53 -179.943 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.847 0.356 . . . . 0.55 111.173 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -147.4 78.31 1.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.55 110.934 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.61 -51.05 70.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.45 111.073 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.22 -46.93 55.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 2.31 110.945 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -51.39 -48.11 62.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.53 110.825 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -64.68 -36.77 85.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.44 110.856 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.7 mt -61.46 -56.5 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.52 111.125 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.2 m -59.15 -40.36 80.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.53 111.16 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.1 mm -56.24 -55.35 19.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.54 111.147 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.99 -51.46 58.16 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.74 -0.743 . . . . 0.44 112.531 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -60.22 -30.35 69.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.785 0.326 . . . . 0.43 110.889 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.557 ' HA ' ' CG1' ' A' ' 25' ' ' ILE . 2.2 mm -64.68 -41.34 91.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.54 111.142 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.447 ' C ' HG21 ' A' ' 26' ' ' ILE . 11.2 mt-10 -70.2 -23.01 62.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.44 110.909 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -91.24 -37.37 13.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 5.24 110.9 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.557 ' CG1' ' HA ' ' A' ' 22' ' ' ILE . 2.7 pp -66.77 -18.53 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.53 111.112 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.447 HG21 ' C ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -44.8 -18.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.54 111.147 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' ILE . 0.5 OUTLIER -88.19 -32.91 18.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 5.43 110.843 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 25' ' ' ILE . 1.4 mt-10 -142.45 140.53 31.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.232 -0.44 . . . . 4.54 110.829 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.494 ' HA ' ' CB ' ' A' ' 86' ' ' ALA . 2.1 t70 -76.61 -56.85 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 2.12 110.898 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -44.98 -36.88 3.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 5.33 110.949 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -50.37 -50.38 51.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 4.41 110.886 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -68.18 -37.26 80.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.44 110.951 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -50.48 -46.31 56.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 5.41 110.866 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.92 -55.43 7.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 5.52 110.904 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -53.08 -57.0 11.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.53 110.926 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -36.96 72.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 3.21 110.905 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.16 -42.4 90.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 5.32 110.851 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -66.2 -54.36 26.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 5.31 110.885 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -61.34 -36.45 80.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 4.43 110.888 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -62.14 -49.29 76.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 4.41 110.839 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -61.06 -54.25 47.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.492 . . . . 5.34 110.895 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -58.27 -48.9 78.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 5.41 110.942 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -60.25 -57.42 12.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.151 -0.477 . . . . 5.54 110.915 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.56 -23.49 58.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 5.55 110.993 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -93.35 14.66 17.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 5.41 110.877 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -152.43 -78.81 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 5.44 110.888 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.77 -176.18 3.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.498 . . . . 5.21 110.884 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -143.61 -167.11 2.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 5.21 110.875 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.74 -161.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 5.32 110.884 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.84 62.33 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.54 110.924 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -135.34 61.72 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 5.54 110.879 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -172.78 34.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 5.24 110.93 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -165.09 155.2 13.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.54 110.89 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.4 mp -85.32 -61.71 1.7 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.54 110.923 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.8 p -95.45 -28.08 15.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.42 110.873 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.92 -37.8 72.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.54 110.921 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.405 ' HB ' ' HD3' ' A' ' 58' ' ' PRO . 1.2 m -52.04 -57.85 13.51 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.573 0.701 . . . . 0.52 111.14 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.405 ' HD3' ' HB ' ' A' ' 57' ' ' THR . 54.4 Cg_endo -69.76 -52.27 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.629 2.219 . . . . 0.52 112.364 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.2 mm -52.78 -38.71 28.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.53 111.183 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -71.99 -51.7 20.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.43 110.865 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -56.71 -53.29 59.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.43 110.861 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -56.38 -57.37 12.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.41 110.927 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -50.98 -65.38 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.55 110.986 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 44.1 mm -50.35 -42.11 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.44 111.129 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -61.24 -45.29 95.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.41 110.829 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.5 mt -57.79 -57.84 8.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.53 111.097 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.35 -24.14 67.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.143 -0.481 . . . . 0.44 110.892 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.09 -56.3 9.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.52 110.85 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -49.12 74.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.55 110.836 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -55.95 -53.04 61.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.53 110.913 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.7 tt -67.5 -31.95 72.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.51 110.924 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -57.22 -53.05 62.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.44 110.864 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -74.3 -31.2 62.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.51 110.973 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.69 -43.25 84.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.52 110.933 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.86 -50.28 13.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.53 110.921 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.3 p -54.2 -34.41 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.55 111.08 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.55 2.2 56.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.52 110.906 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 79' ' ' ILE . 0.3 OUTLIER -82.09 -50.76 8.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.54 110.9 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 78' ' ' ARG . 1.2 tt 36.47 63.42 2.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.61 0.719 . . . . 0.54 111.096 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -49.09 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.257 . . . . 2.32 112.371 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.578 ' O ' ' HA2' ' A' ' 100' ' ' GLY . . . 123.58 -69.56 0.46 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.768 -0.73 . . . . 5.42 112.597 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.768 ' O ' ' N ' ' A' ' 84' ' ' MET . 65.8 t80 -67.17 155.6 38.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.809 0.338 . . . . 4.41 110.916 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -43.99 74.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 5.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.768 ' N ' ' O ' ' A' ' 82' ' ' PHE . 4.6 tpt -145.28 83.2 1.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.55 110.853 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.401 ' O ' ' CG2' ' A' ' 88' ' ' THR . 1.5 p30 171.56 47.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.54 110.876 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.494 ' CB ' ' HA ' ' A' ' 29' ' ' ASP . . . -77.71 -26.25 49.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.44 111.11 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -53.31 -40.54 64.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.45 110.906 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.401 ' CG2' ' O ' ' A' ' 85' ' ' ASP . 10.1 t -62.69 -32.69 73.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.51 111.109 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -64.95 -60.07 3.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.43 110.885 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.63 -13.62 61.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.54 110.815 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.25 -63.7 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.53 110.933 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.96 -86.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.44 110.823 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -135.1 -74.4 0.46 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.291 -0.413 . . . . 4.4 110.935 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -161.21 113.65 1.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 4.42 110.858 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.401 ' CB ' HG22 ' A' ' 88' ' ' THR . 0.0 OUTLIER -87.35 3.64 46.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.52 110.907 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -47.94 -37.74 15.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 4.23 110.826 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -48.29 -32.33 7.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 3.42 110.906 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.5 m -153.06 93.23 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.482 . . . . 0.55 111.101 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.3 t -117.04 -166.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.52 110.804 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.578 ' HA2' ' O ' ' A' ' 81' ' ' GLY . . . -42.42 -29.79 0.75 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.77 -0.729 . . . . 3.23 112.452 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -47.7 -66.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 5.34 110.916 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 9.7 tt -78.37 -39.48 24.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 4.51 111.158 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.448 ' HB3' ' HA2' ' A' ' 81' ' ' GLY . 0.6 OUTLIER -54.89 -59.16 5.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 3.33 110.907 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 81' ' ' GLY . 0.0 OUTLIER -58.19 -32.04 67.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 5.44 110.876 179.834 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.7 ttt -50.99 -57.38 8.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 4.31 110.926 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.2 mt -90.52 -45.06 9.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 5.22 110.936 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 109' ' ' PHE . 0.1 OUTLIER -68.34 -1.34 6.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 5.31 110.887 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -41.57 -26.62 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 5.53 111.15 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 107' ' ' LEU . 74.2 t80 -50.15 -25.83 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 5.21 110.939 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.6 t -158.51 67.43 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 5.55 111.048 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.67 178.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 4.34 110.905 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.514 ' CD1' ' HB3' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -56.45 -12.74 1.84 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.242 -0.436 . . . . 5.41 110.895 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.414 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 0.7 OUTLIER -37.31 -57.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 5.34 110.886 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.49 ' O ' ' HB3' ' A' ' 117' ' ' GLU . . . -80.28 -52.84 7.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 5.12 111.083 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -52.93 -61.53 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 4.21 110.89 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -57.24 -39.32 75.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 5.55 110.901 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.49 ' HB3' ' O ' ' A' ' 114' ' ' ALA . 4.0 tt0 -44.88 -60.85 1.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 5.24 110.924 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -80.62 -50.2 10.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.126 -0.488 . . . . 4.15 110.865 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -54.02 -61.21 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.44 110.923 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.436 ' CB ' ' O ' ' A' ' 116' ' ' LYS . 4.2 m -56.22 -45.46 79.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.44 111.154 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -50.77 -42.5 57.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.51 110.8 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -79.08 -57.16 3.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.45 110.94 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -50.93 -48.49 60.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.54 110.913 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.97 -64.91 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.54 111.025 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -49.72 -24.8 2.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.51 110.877 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.72 -49.6 61.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.44 110.855 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.47 -14.24 61.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.43 110.835 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 112.45 40.74 1.1 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.753 -0.737 . . . . 0.41 112.479 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -37.05 -55.35 0.94 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.885 0.374 . . . . 4.54 110.853 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.43 112.524 -179.936 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.805 0.336 . . . . 0.42 111.061 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.6 t70 63.87 95.73 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.53 110.838 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.42 -30.58 64.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.52 111.064 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -48.86 -59.32 3.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.54 110.943 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -52.94 -38.39 61.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.51 110.899 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -68.41 -38.12 80.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.52 110.891 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.9 mt -63.39 -57.81 10.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.55 111.138 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 m -61.31 -37.11 76.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.51 111.107 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.0 mm -58.32 -55.46 22.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.53 111.166 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.31 -46.46 93.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.42 112.522 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -66.1 -24.69 66.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.44 110.847 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.563 ' O ' HG23 ' A' ' 25' ' ' ILE . 1.1 mm -72.22 -42.87 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.52 111.158 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.453 ' O ' ' CD1' ' A' ' 26' ' ' ILE . 4.6 pt-20 -70.5 -24.56 62.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.55 110.883 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -92.04 -41.35 10.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 3.52 110.875 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -53.65 -27.46 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.54 111.099 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.46 HG22 ' HB1' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -47.27 -18.89 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 4.31 111.133 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.43 ' N ' HD11 ' A' ' 26' ' ' ILE . 1.6 mmm -91.32 -32.08 15.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 5.42 110.932 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 25' ' ' ILE . 0.4 OUTLIER -163.36 128.47 3.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 4.43 110.879 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.415 ' HA ' ' CG1' ' A' ' 25' ' ' ILE . 13.8 m-20 -67.79 -30.62 70.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 4.41 110.849 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -45.23 -46.65 12.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 4.43 110.877 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -55.9 -34.79 65.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 5.41 110.795 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.516 ' HG3' ' HA ' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -63.14 -41.82 99.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.5 110.902 -179.854 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -55.22 -46.84 75.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 5.52 110.849 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.57 -55.98 12.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 63.11 110.854 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -54.39 -55.45 28.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 5.44 110.933 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -48.98 -54.33 16.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 5.51 110.886 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.2 t -54.07 -33.13 56.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 4.52 110.914 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -60.71 -54.35 46.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.507 . . . . 4.32 110.915 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -71.14 -38.66 72.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 5.23 110.881 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.74 -50.98 62.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 5.11 110.938 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -71.96 -45.84 59.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 5.23 110.87 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -53.42 -42.83 67.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.279 -0.419 . . . . 5.31 110.928 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -73.75 -50.57 20.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.089 -0.505 . . . . 5.01 110.98 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -56.02 -23.92 36.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 5.34 110.893 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -59.51 -40.56 87.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 4.41 110.892 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -179.73 -34.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.074 -0.512 . . . . 5.4 110.899 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.14 151.91 4.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 4.54 110.891 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -114.38 174.8 5.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 5.0 110.81 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.6 m -121.42 -163.12 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 2.03 110.817 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 68.19 22.21 8.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 0.52 110.876 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 51.63 -169.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.54 110.876 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -140.2 38.0 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.52 110.915 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.05 179.22 4.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.44 110.919 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.6 mt -84.7 -60.92 1.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.45 110.942 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.34 -25.39 16.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.53 110.87 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.6 -34.9 67.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.52 110.954 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.415 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.2 m -57.71 -55.55 43.62 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.546 0.688 . . . . 0.5 111.127 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.415 ' CD ' ' N ' ' A' ' 57' ' ' THR . 53.0 Cg_endo -69.75 -52.64 0.31 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.62 2.214 . . . . 0.44 112.337 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.6 tt -53.63 -34.28 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.53 111.101 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -73.65 -53.28 10.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.51 110.881 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -58.54 -52.25 66.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.55 110.971 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -55.92 -50.47 70.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.52 110.915 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -51.57 -55.98 16.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.55 110.872 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.4 mm -61.6 -36.96 76.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.52 111.094 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.04 -36.35 81.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.5 110.919 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.8 mt -65.79 -55.27 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.51 111.088 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 tt -61.9 -48.89 78.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.54 110.954 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -58.84 -36.81 75.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.43 110.872 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -63.66 -61.59 2.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 0.55 110.935 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -52.48 61.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.53 110.906 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.475 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -52.26 -66.95 0.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.53 110.962 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -45.29 -44.94 11.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.54 110.9 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -53.68 -47.1 70.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.54 110.885 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -72.44 -42.91 64.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.53 110.92 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.505 ' HG ' ' CB ' ' A' ' 91' ' ' LEU . 3.5 mm? -49.91 -48.25 51.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.44 110.925 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.5 p -80.09 -30.26 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.45 111.105 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -71.98 -10.47 59.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.45 110.898 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -128.37 -70.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.55 110.901 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.5 mt 65.97 71.27 0.5 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.736 . . . . 0.53 111.129 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -23.77 30.58 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.668 2.245 . . . . 5.24 112.36 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.408 ' HA3' ' N ' ' A' ' 104' ' ' ASP . . . 90.22 -65.58 2.83 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 3.43 112.527 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -61.08 136.1 57.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 5.44 110.843 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.53 72.25 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 5.22 110.883 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 113' ' ' MET . 28.0 mmm -74.91 -12.49 60.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 5.14 110.818 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.567 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 1.7 p-10 -170.01 -177.38 2.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.53 110.847 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.56 ' HB3' ' CG2' ' A' ' 25' ' ' ILE . . . -79.63 -8.02 58.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.54 111.154 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.462 ' CD2' ' CD1' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -45.1 -29.56 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.55 110.907 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.462 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 55.4 m -75.92 -39.63 55.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.55 111.146 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.516 ' HA ' ' HG3' ' A' ' 32' ' ' GLN . 4.8 t60 -47.67 -56.52 7.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.54 110.845 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.97 -36.37 81.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.52 110.832 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.505 ' CB ' ' HG ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -68.76 -20.91 64.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.5 110.893 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.407 ' HG3' ' CD ' ' A' ' 32' ' ' GLN . 0.2 OUTLIER -49.48 -15.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 5.42 110.873 179.818 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.416 ' H ' ' C ' ' A' ' 91' ' ' LEU . 1.8 mm100 -45.05 -26.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.53 110.948 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -144.51 -29.73 0.47 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.198 -0.455 . . . . 2.32 110.873 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -1.53 15.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.51 110.929 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -51.29 -40.15 58.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 4.52 110.826 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.97 -28.74 69.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 4.44 110.884 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.7 p -133.42 105.61 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.55 111.145 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.9 t -107.54 -175.12 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.45 110.83 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 104' ' ' ASP . . . -47.04 -25.58 2.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.767 -0.73 . . . . 4.33 112.536 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -39.66 -67.35 0.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 5.52 110.81 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -84.91 -39.78 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 4.54 111.176 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.405 ' CB ' ' HA2' ' A' ' 81' ' ' GLY . 86.7 mt -59.19 -59.62 5.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 4.33 110.92 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -59.72 -35.09 73.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 5.35 110.914 179.807 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.74 -46.04 70.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 4.42 110.841 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 35.2 mt -87.85 -51.47 5.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.437 . . . . 4.52 110.869 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.415 ' C ' ' N ' ' A' ' 109' ' ' PHE . 4.4 mm? -64.0 -7.1 7.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 5.33 110.914 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -47.41 -17.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 4.52 111.126 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.415 ' N ' ' C ' ' A' ' 107' ' ' LEU . 54.8 t80 -53.23 -27.12 20.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 5.52 110.873 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.5 t 177.42 81.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 5.2 111.103 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -52.53 172.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 5.55 110.889 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.432 ' O ' ' N ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -70.82 0.74 6.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.54 110.877 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.478 ' N ' ' HG3' ' A' ' 84' ' ' MET . 50.6 ttp -38.93 -29.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 5.15 110.872 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 112' ' ' PHE . . . -62.51 -71.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 5.03 111.04 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -68.71 -28.65 67.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.54 110.892 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 120' ' ' THR . 0.8 OUTLIER -72.96 -32.94 65.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.54 110.943 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -47.32 -53.69 12.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.138 -0.483 . . . . 5.43 110.9 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -51.63 9.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.43 110.853 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -56.12 -57.99 9.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.998 0.428 . . . . 0.53 110.891 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 116' ' ' LYS . 35.1 m -52.58 -47.45 66.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.52 111.135 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -45.71 -40.9 9.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.54 110.84 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -76.41 -57.38 3.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.54 110.897 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -54.27 -57.96 9.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.44 110.845 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -52.68 -63.45 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.54 111.169 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.37 -24.49 12.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.55 110.874 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.58 -50.46 13.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.54 110.884 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -69.19 -13.65 62.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.53 110.959 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 95.52 39.85 4.33 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.712 -0.756 . . . . 0.53 112.428 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.55 -26.07 3.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 4.12 110.864 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 5.35 112.491 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.747 0.308 . . . . 0.54 111.069 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.84 84.12 1.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.51 110.879 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.16 -32.0 66.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.44 111.088 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -47.74 -56.49 7.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.53 110.901 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -50.89 -46.5 60.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.53 110.864 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.51 -37.61 87.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.51 110.912 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.3 mm -60.97 -55.94 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.44 111.136 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.1 m -61.07 -38.65 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.51 111.115 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.3 mm -56.65 -56.52 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.55 111.12 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.95 -49.79 74.56 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.772 -0.728 . . . . 0.4 112.579 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -63.22 -27.49 69.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 0.52 110.876 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.587 ' O ' HG13 ' A' ' 25' ' ' ILE . 1.6 mm -65.0 -43.82 96.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.54 111.134 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -68.31 -28.81 67.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.54 110.878 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.38 -49.44 9.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 5.43 110.858 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 22' ' ' ILE . 2.9 pp -50.87 -24.96 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.51 111.151 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 22' ' ' ILE . 8.4 mt -48.54 -18.24 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.54 111.079 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.8 mtt -85.27 -32.11 22.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 5.31 110.868 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -149.35 140.94 23.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 5.53 110.838 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.477 ' HA ' ' HB1' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -79.11 -54.66 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 2.23 110.827 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.23 -50.66 8.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 5.34 110.829 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -49.03 -36.01 16.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 4.4 110.847 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.567 HE21 ' N ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -68.03 -38.65 82.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.52 110.929 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.567 ' N ' HE21 ' A' ' 32' ' ' GLN . 2.2 t60 -55.1 -43.62 74.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 5.2 110.86 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 mp -70.15 -56.75 6.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.246 -0.434 . . . . 74.54 110.951 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -56.67 -55.91 28.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.45 110.89 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 -51.02 -52.98 37.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 5.23 110.914 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.4 t -51.75 -38.27 54.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 5.44 110.874 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -62.52 -54.05 45.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 4.33 110.891 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.1 tpt -66.46 -30.99 71.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 5.14 110.895 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -62.11 -55.68 26.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 5.31 110.887 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -45.03 89.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 5.51 110.871 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -58.92 -41.36 87.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 5.33 110.919 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -74.0 -52.24 13.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 5.35 110.931 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -54.77 -30.1 55.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.509 . . . . 5.34 110.911 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.34 -17.27 58.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 5.4 110.876 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -119.28 -77.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 5.53 110.919 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -142.68 -172.8 3.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 5.32 110.895 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -122.46 -169.82 1.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 5.35 110.862 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.2 m -80.18 -163.43 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.44 110.858 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 65.06 19.86 11.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.12 -0.491 . . . . 0.45 110.917 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -142.58 136.02 28.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 4.21 110.901 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -174.38 -75.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.54 110.847 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.33 -165.31 2.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.51 110.859 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.33 -50.38 11.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.227 -0.442 . . . . 0.54 110.929 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 p -93.26 -27.27 16.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.42 110.849 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -71.37 -39.03 71.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.54 110.915 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.1 m -51.3 -57.56 13.68 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.587 0.708 . . . . 0.52 111.151 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -52.72 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.734 2.29 . . . . 0.45 112.288 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.1 mt -52.53 -39.22 28.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.55 111.174 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -71.57 -52.13 19.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.54 110.848 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -53.85 -53.84 46.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.44 110.896 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -57.08 -55.85 29.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.54 110.887 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -51.23 -51.47 53.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.44 110.814 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.1 mm -62.65 -33.55 60.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.53 111.108 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -37.92 85.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.53 110.847 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.6 mt -70.28 -52.46 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.55 111.111 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -46.89 84.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.52 110.928 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -67.44 -33.19 74.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.45 110.886 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.06 -55.75 30.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.54 110.851 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -63.77 -52.31 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.55 110.82 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.35 -40.96 68.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.446 . . . . 0.53 110.904 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -64.95 -46.53 81.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.43 110.86 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -58.66 -33.98 70.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.51 110.907 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -80.5 -50.08 10.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.45 110.902 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.65 -26.36 68.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.5 110.919 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.5 p -87.11 -35.32 8.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.42 111.107 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -88.83 2.63 53.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.52 110.833 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -96.12 -47.09 6.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.54 110.901 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 78' ' ' ARG . 0.8 OUTLIER 34.78 62.13 2.15 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.678 0.752 . . . . 0.54 111.103 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -34.06 15.25 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.73 2.287 . . . . 0.45 112.334 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.437 ' CA ' ' HB3' ' A' ' 103' ' ' LEU . . . 89.43 -24.16 15.54 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.775 -0.726 . . . . 4.32 112.522 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.758 ' O ' ' N ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -94.42 153.86 17.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 5.4 110.827 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -46.1 73.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.492 . . . . 5.13 110.882 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.758 ' N ' ' O ' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -83.28 -169.43 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.45 110.844 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -50.37 121.29 5.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.52 110.82 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.477 ' HB1' ' HA ' ' A' ' 29' ' ' ASP . . . -68.6 -8.55 42.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.54 111.094 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -46.16 -29.02 1.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.45 110.926 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.9 t -58.13 -46.29 85.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.53 111.223 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -59.93 -56.61 19.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.54 110.851 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.12 -10.95 60.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.51 110.888 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.9 tp -75.52 -61.55 1.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.54 110.875 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -84.82 -87.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.54 110.899 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -135.56 -77.14 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 5.14 110.927 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -164.22 89.61 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 5.45 110.862 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.49 6.45 10.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.256 -0.429 . . . . 0.54 110.92 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -45.98 -44.25 14.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 3.41 110.915 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -45.73 -30.48 1.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 5.42 110.875 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 13.9 t -154.99 95.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 0.45 111.117 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.6 t -115.44 -177.84 3.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.52 110.817 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 104' ' ' ASP . . . -50.86 -18.42 2.77 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.717 -0.754 . . . . 4.14 112.426 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.86 -63.25 1.02 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.791 0.329 . . . . 4.41 110.901 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.428 HG22 ' H ' ' A' ' 103' ' ' LEU . 2.4 tt -63.73 -58.83 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 4.53 111.15 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.437 ' HB3' ' CA ' ' A' ' 81' ' ' GLY . 4.3 mm? -52.96 -28.1 22.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 4.22 110.897 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' A' ' 100' ' ' GLY . 6.2 t70 -65.51 -41.81 92.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 4.44 110.909 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -37.75 67.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 5.1 110.85 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -88.79 -56.47 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 5.04 110.945 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 109' ' ' PHE . 0.2 OUTLIER -73.27 5.0 3.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 5.42 110.927 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.4 OUTLIER -40.63 -21.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 5.32 111.137 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 107' ' ' LEU . 19.1 t80 -43.84 -29.57 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 5.54 110.909 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.546 ' O ' ' O ' ' A' ' 111' ' ' ASP . 1.1 t -151.86 77.44 1.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 5.43 111.142 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.546 ' O ' ' O ' ' A' ' 110' ' ' THR . 13.7 p-10 -43.42 178.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 5.03 110.877 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -9.95 0.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 5.32 110.853 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.409 ' H ' ' C ' ' A' ' 111' ' ' ASP . 0.0 OUTLIER -40.12 -38.52 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 5.11 110.814 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.437 ' O ' ' HB3' ' A' ' 117' ' ' GLU . . . -79.55 -57.24 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 5.45 111.179 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -57.39 -57.27 13.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 3.5 110.926 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 120' ' ' THR . 0.0 OUTLIER -56.72 -40.15 75.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 4.45 110.888 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.437 ' HB3' ' O ' ' A' ' 114' ' ' ALA . 5.8 tp10 -45.44 -59.07 2.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 5.02 110.854 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.82 -53.5 6.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.44 110.874 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -53.22 -61.7 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.55 110.898 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.47 ' CB ' ' O ' ' A' ' 116' ' ' LYS . 3.9 m -55.31 -44.24 75.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.44 111.08 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -48.06 -48.51 33.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.44 110.916 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.07 -56.35 4.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.44 110.905 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.33 -54.52 20.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.52 110.874 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.11 -64.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.55 111.102 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -48.26 -27.15 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.42 110.851 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.48 -49.49 66.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.187 -0.46 . . . . 0.53 110.898 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.22 -10.29 56.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.44 110.841 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.668 ' O ' ' C ' ' A' ' 129' ' ' ARG . . . 81.97 39.79 11.26 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.776 -0.725 . . . . 0.52 112.483 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.668 ' C ' ' O ' ' A' ' 128' ' ' GLY . 0.0 OUTLIER -6.26 -80.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.327 . . . . 4.42 110.911 -179.845 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.723 . . . . 0.5 112.497 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.755 0.312 . . . . 0.52 111.064 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -168.13 29.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.5 110.868 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.21 -48.13 45.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.53 111.127 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.36 -59.99 3.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.51 110.891 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -53.75 -39.06 65.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.51 110.903 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.1 -35.33 80.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.54 110.952 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.7 mm -63.07 -61.52 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.486 . . . . 0.55 111.122 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.1 m -59.55 -37.67 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.55 111.121 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.427 ' O ' HG23 ' A' ' 22' ' ' ILE . 4.4 mm -56.92 -58.89 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.55 111.123 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.86 -42.42 53.31 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.45 112.526 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.44 ' O ' ' CG2' ' A' ' 25' ' ' ILE . 3.2 m120 -58.42 -40.16 81.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.367 . . . . 0.52 110.912 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.59 ' O ' HG13 ' A' ' 25' ' ' ILE . 2.5 tp -50.39 -40.11 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.55 111.142 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.457 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 2.7 pt-20 -67.11 -26.39 66.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.52 110.821 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.1 -27.26 17.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.199 -0.455 . . . . 4.34 110.85 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.59 HG13 ' O ' ' A' ' 22' ' ' ILE . 1.2 pp -69.05 -20.19 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 1.01 111.152 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.418 HD12 ' N ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -37.96 -28.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 4.15 111.155 179.876 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 25' ' ' ILE . 2.8 mtt -91.17 -36.13 14.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 5.43 110.865 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -174.68 114.96 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 4.41 110.831 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.439 ' O ' ' CB ' ' A' ' 33' ' ' HIS . 0.3 OUTLIER -87.64 -26.67 22.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 4.31 110.817 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -45.57 -55.78 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 5.53 110.885 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.408 ' O ' ' HB3' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -85.59 -56.79 3.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 72.53 110.863 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -48.23 -55.18 11.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 5.52 110.88 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' SER . 4.8 t60 -68.04 -38.79 82.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.54 110.863 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.434 ' CB ' ' O ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER -43.01 -55.97 3.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 65.11 110.872 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -77.02 -54.42 6.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 61.34 110.897 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -52.14 -63.57 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.54 110.891 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 33' ' ' HIS . 1.0 OUTLIER -54.5 -41.46 69.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.54 110.878 -179.792 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -49.66 -54.72 16.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 5.33 110.862 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 84.2 mtp -60.88 -51.44 69.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 4.52 110.888 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -56.27 -34.38 66.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 4.24 110.929 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -67.93 -65.49 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 4.24 110.841 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -56.53 -16.78 6.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 5.33 110.908 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -78.51 -61.99 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 5.43 110.885 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.61 -48.14 4.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 5.21 110.942 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -53.73 -23.42 11.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 4.32 110.877 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -65.81 -81.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 5.53 110.911 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -145.44 95.2 2.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 4.42 110.899 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.38 -167.7 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 3.43 110.844 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.67 -170.37 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 3.34 110.844 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -48.08 -71.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.504 . . . . 0.52 110.887 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 47.77 86.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 3.25 110.894 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -148.89 -169.87 3.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.55 110.845 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -56.44 -179.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.45 110.927 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.02 -38.28 90.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.54 110.935 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.47 -29.19 15.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.54 110.892 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -71.79 -38.75 70.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.55 110.909 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.407 ' HB ' ' HD3' ' A' ' 58' ' ' PRO . 1.1 m -51.08 -57.6 13.28 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.59 0.71 . . . . 0.53 111.157 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.407 ' HD3' ' HB ' ' A' ' 57' ' ' THR . 53.3 Cg_endo -69.81 -51.13 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.669 2.246 . . . . 0.55 112.281 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 22.8 mm -53.86 -35.28 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.53 111.134 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -74.06 -52.09 13.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.54 110.902 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.55 -48.1 80.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.43 110.813 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -62.14 -49.2 76.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.5 110.852 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -52.65 -66.16 0.43 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.52 110.953 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.2 mm -50.78 -43.09 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.51 . . . . 0.55 111.127 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -62.14 -40.43 95.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.51 110.838 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.6 mt -61.03 -57.27 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.43 111.17 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.71 -36.46 83.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.44 110.912 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -56.47 -56.8 16.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.51 110.879 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -46.93 73.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.54 110.872 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -53.79 -53.32 53.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.264 -0.425 . . . . 0.51 110.861 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.6 mt -71.54 -29.0 64.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.54 110.887 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -56.34 -54.69 42.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.52 110.865 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -75.62 -38.01 59.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.53 110.887 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.83 -46.6 88.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.54 110.906 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.41 -60.02 2.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.51 110.815 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 p -48.01 -27.58 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.43 111.089 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.38 -37.53 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.53 110.898 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 79' ' ' ILE . 10.9 mmt-85 -128.12 -27.63 2.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.54 110.943 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.431 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.5 OUTLIER 36.37 55.01 2.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.629 0.728 . . . . 0.52 111.167 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.478 ' O ' ' C ' ' A' ' 81' ' ' GLY . 53.7 Cg_endo -69.71 110.12 2.47 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.732 2.288 . . . . 0.54 112.352 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.534 ' HA3' ' HA ' ' A' ' 103' ' ' LEU . . . -29.97 -45.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.703 -0.76 . . . . 4.41 112.486 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.532 ' HB3' ' HB3' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -51.73 152.87 2.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 5.23 110.846 -179.865 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -65.12 74.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 5.22 110.924 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.453 ' SD ' ' N ' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -88.6 -12.9 41.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.52 110.936 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.453 ' N ' ' SD ' ' A' ' 84' ' ' MET . 0.5 OUTLIER 167.35 113.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.55 110.886 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.36 -21.26 23.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.5 111.116 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.449 ' O ' ' CB ' ' A' ' 91' ' ' LEU . 4.6 m-85 -55.89 -52.72 63.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.53 110.866 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.5 t -57.9 -29.81 65.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.53 111.089 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.443 ' HB3' ' CA ' ' A' ' 96' ' ' ASP . 0.3 OUTLIER -64.26 -62.36 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.53 110.903 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.0 t -74.42 -18.8 60.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.5 110.813 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.449 ' CB ' ' O ' ' A' ' 87' ' ' PHE . 5.9 tp -79.1 -58.33 3.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.45 110.912 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.81 -84.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.53 110.913 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -132.66 -78.01 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 5.41 110.927 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -159.32 23.59 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 5.4 110.777 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.0 -15.72 2.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.44 110.863 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.443 ' CA ' ' HB3' ' A' ' 89' ' ' HIS . 4.2 p30 -49.65 -27.24 4.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 3.11 110.916 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.412 ' O ' ' HB ' ' A' ' 98' ' ' VAL . 0.3 OUTLIER -55.34 -55.28 33.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 5.44 110.888 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' A' ' 97' ' ' GLU . 9.8 p 178.82 140.93 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 71.14 111.121 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.0 t -107.65 86.83 2.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 5.4 110.894 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -94.45 -68.18 1.04 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 4.5 112.394 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -64.88 -48.62 73.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 33.12 110.845 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.455 HG21 ' HA2' ' A' ' 81' ' ' GLY . 2.2 tp -59.96 -37.01 70.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 3.4 111.127 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.534 ' HA ' ' HA3' ' A' ' 81' ' ' GLY . 0.2 OUTLIER -57.09 -58.11 9.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 5.34 110.867 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.42 ' N ' ' CD1' ' A' ' 103' ' ' LEU . 0.3 OUTLIER -70.58 -37.08 73.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 5.24 110.805 179.859 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.0 mtt -59.0 -46.68 87.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 5.03 110.837 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -84.26 -48.85 9.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 5.43 110.869 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.487 ' CB ' ' O ' ' A' ' 103' ' ' LEU . 1.8 tm? -45.24 -35.17 3.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 5.52 110.925 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.4 ' CG2' ' N ' ' A' ' 109' ' ' PHE . 11.8 t -43.5 -43.25 5.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 5.11 111.132 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.4 ' N ' ' CG2' ' A' ' 108' ' ' THR . 0.3 OUTLIER -130.91 -54.04 1.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 4.34 110.885 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.3 m -96.16 99.94 11.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 5.32 111.146 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -109.57 156.58 19.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 5.51 110.892 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.532 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -57.24 -17.46 11.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 5.43 110.913 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 9.6 ttt -38.38 -50.02 1.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 5.13 110.892 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' A' ' 117' ' ' GLU . . . -78.52 -55.0 5.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 4.54 111.081 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -63.63 1.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.53 110.904 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -50.13 -40.26 45.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 4.41 110.916 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.433 ' HB3' ' O ' ' A' ' 114' ' ' ALA . 7.7 tp10 -46.69 -59.87 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 4.4 110.856 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -79.73 -52.33 8.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.54 110.877 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -52.33 -61.53 2.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.45 110.89 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.452 ' CB ' ' O ' ' A' ' 116' ' ' LYS . 4.3 m -55.62 -44.99 77.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.54 111.107 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -51.78 -42.14 62.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.52 110.848 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -79.43 -57.05 3.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.54 110.906 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -45.05 56.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.53 110.909 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.4 -63.95 0.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.53 111.071 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.8 -24.87 1.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.54 110.882 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.5 ttmm -67.79 -49.91 59.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.154 -0.475 . . . . 0.54 110.843 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -72.59 -14.22 61.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.43 110.881 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 112.3 40.59 1.13 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.667 -0.778 . . . . 0.5 112.489 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.36 -60.5 0.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.822 0.344 . . . . 3.34 110.863 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 2.53 112.555 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.487 -0.245 . . . . 0.44 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -171.03 38.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.341 . . . . 0.54 110.846 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -136.45 172.85 12.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.43 110.853 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -174.5 109.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.54 110.871 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -178.92 165.72 1.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.55 110.807 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -120.23 148.34 43.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.54 110.845 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -179.35 -170.69 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.52 110.88 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tt 63.3 161.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.52 110.91 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.31 -74.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.45 110.871 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -51.06 -33.11 24.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.52 110.865 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.74 -56.06 14.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.53 111.119 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -122.1 82.88 2.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.5 110.875 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.46 -50.17 73.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.42 111.076 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -50.66 -40.97 54.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.53 110.928 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -57.88 -55.63 32.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.53 110.845 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -58.72 -33.6 70.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.44 110.871 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.59 -57.12 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.53 111.106 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.4 m -63.35 -34.69 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.54 111.17 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.6 mm -59.54 -56.24 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.55 111.115 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.98 -52.01 55.9 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.44 112.514 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -61.96 -27.35 68.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.54 110.888 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.586 ' O ' HG13 ' A' ' 25' ' ' ILE . 0.8 OUTLIER -64.91 -47.61 87.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.45 111.133 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.75 -29.33 70.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.54 110.927 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -82.52 -47.88 11.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 5.33 110.859 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.586 HG13 ' O ' ' A' ' 22' ' ' ILE . 2.8 pp -58.47 -18.52 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.53 111.121 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.1 mm -42.62 -27.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.53 111.111 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -95.34 -31.03 13.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 4.13 110.891 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 25' ' ' ILE . 13.6 mt-10 -132.4 126.25 32.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 5.42 110.875 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.443 ' HA ' ' CB ' ' A' ' 86' ' ' ALA . 2.6 m-20 -78.94 -47.11 17.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 3.24 110.892 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -47.01 -44.12 20.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 5.03 110.887 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.26 -41.75 38.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 5.43 110.901 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.428 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . 1.5 tt0 -68.77 -41.33 78.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.54 110.892 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -50.24 -44.34 53.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 5.41 110.832 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.68 -57.73 3.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 71.22 110.897 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -54.71 -57.16 12.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 3.21 110.918 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -52.05 -51.59 56.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 4.41 110.904 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.0 t -51.28 -38.41 52.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 4.35 110.833 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -65.44 -53.61 40.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 5.51 110.888 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -35.92 80.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 5.34 110.878 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -61.37 -55.02 36.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 5.42 110.874 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -59.04 -46.74 87.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 5.12 110.913 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.05 -50.35 73.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 5.42 110.937 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -61.3 -55.44 31.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 5.55 110.945 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.34 -29.4 63.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 5.51 110.925 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -91.98 14.31 16.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 5.45 110.873 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -135.65 -79.86 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 5.32 110.893 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -143.29 -172.55 3.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 5.42 110.84 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.45 -169.03 2.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 5.42 110.862 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.7 m -69.26 -164.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.54 110.875 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 63.82 21.86 12.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.54 110.874 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.15 -163.33 1.03 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 3.15 110.924 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 70.88 -173.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.55 110.835 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -169.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.55 110.91 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.5 mp -81.45 -21.43 38.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.54 110.89 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.92 -36.51 14.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.54 110.851 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -69.05 -33.57 73.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.54 110.904 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.446 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -51.15 -59.96 6.63 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.543 0.687 . . . . 0.54 111.157 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.446 ' CD ' ' CB ' ' A' ' 57' ' ' THR . 53.5 Cg_endo -69.79 -51.15 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.54 112.315 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.8 mt -52.64 -40.19 33.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.55 111.137 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -71.67 -51.72 21.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.44 110.869 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -55.28 -51.0 68.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.44 110.924 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -57.6 -57.37 13.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.45 110.923 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -50.78 -63.04 1.25 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.52 110.921 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.5 mm -52.19 -44.13 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.54 111.103 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -60.87 -36.74 79.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.54 110.924 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.0 mt -64.27 -57.1 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.44 111.14 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.94 -49.82 71.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.5 110.907 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -54.48 -42.09 70.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.5 110.892 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -54.96 31.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.53 110.941 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -58.48 -52.34 66.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.53 110.88 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.67 -30.76 71.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.53 110.932 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -61.61 -54.52 41.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.54 110.892 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -62.48 -38.66 90.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.53 110.885 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.89 -50.83 61.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.44 110.873 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.67 -40.03 95.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.55 110.906 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.99 -51.06 77.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.52 111.12 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -83.76 2.73 36.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.51 110.875 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -69.86 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.55 110.859 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.437 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 16.7 mt 39.21 54.88 5.36 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.65 0.738 . . . . 0.54 111.109 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.444 ' HB3' ' CG ' ' A' ' 115' ' ' PHE . 53.8 Cg_endo -69.78 -49.38 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.709 2.273 . . . . 1.42 112.357 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.586 ' O ' ' HA2' ' A' ' 100' ' ' GLY . . . 126.59 -70.83 0.49 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 2.22 112.478 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.749 ' O ' ' N ' ' A' ' 84' ' ' MET . 4.0 t80 -79.22 153.69 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.883 0.373 . . . . 5.13 110.854 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -41.42 77.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 5.13 110.904 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.749 ' N ' ' O ' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -78.39 -66.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 4.14 110.9 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.3 p30 -148.23 132.79 17.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.41 110.899 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.443 ' CB ' ' HA ' ' A' ' 29' ' ' ASP . . . -75.06 -9.7 58.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.43 111.096 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.38 -31.18 1.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.54 110.892 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.2 t -62.8 -43.67 98.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.42 111.146 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -58.62 -54.78 43.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.52 110.845 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.9 t -75.29 -13.28 60.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.52 110.87 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.3 tp -71.19 -64.44 0.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.51 110.933 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -87.8 -85.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.53 110.863 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -133.12 -73.51 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 5.54 110.922 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -161.93 112.78 1.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 5.22 110.87 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.86 1.0 49.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.5 110.886 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -50.57 -40.55 52.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 4.42 110.883 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -53.29 -29.94 35.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 4.51 110.861 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.9 m -153.37 97.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.53 111.131 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.2 t -116.23 -164.69 0.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 4.44 110.839 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.586 ' HA2' ' O ' ' A' ' 81' ' ' GLY . . . -39.97 -32.25 0.35 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.697 -0.763 . . . . 5.24 112.509 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.1 -67.35 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 5.02 110.85 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 tt -81.24 -41.58 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 4.45 111.171 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.434 ' HB3' ' HA2' ' A' ' 81' ' ' GLY . 3.9 mm? -52.28 -60.96 2.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 4.44 110.957 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.51 ' HB3' ' O ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -60.78 -30.41 70.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 5.54 110.896 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.41 -56.66 11.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 4.53 110.85 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.3 mp -90.34 -44.34 9.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 5.45 110.913 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -70.23 0.23 6.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 4.34 110.891 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -41.54 -25.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 5.41 111.096 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 107' ' ' LEU . 85.7 t80 -48.62 -26.57 2.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 5.42 110.91 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.6 t -157.22 67.39 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 5.14 111.147 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -50.29 178.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 5.21 110.902 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.495 ' O ' ' HB3' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -60.13 -12.41 8.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 5.5 110.874 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -37.98 -57.02 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 5.23 110.909 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.67 -54.41 5.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 4.51 111.101 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.444 ' CG ' ' HB3' ' A' ' 80' ' ' PRO . 42.9 m-85 -51.74 -61.5 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.54 110.865 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -57.67 -36.12 71.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 5.4 110.905 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -44.94 -62.09 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 3.41 110.904 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.53 -49.74 10.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.53 110.852 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -53.55 -60.41 3.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.54 110.886 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.458 ' CB ' ' O ' ' A' ' 116' ' ' LYS . 6.8 m -56.11 -45.82 79.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.43 111.159 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -48.88 -45.43 41.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.5 110.884 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -78.87 -57.42 3.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.52 110.911 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -50.82 -56.63 11.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.53 110.833 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.44 -64.01 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.51 111.107 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -49.89 -24.4 2.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.54 110.894 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -78.31 -49.27 13.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.54 110.912 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -68.09 -14.63 63.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.52 110.9 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 112.51 40.68 1.1 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 0.44 112.511 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -39.23 -61.85 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.786 0.326 . . . . 4.32 110.85 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.793 -0.717 . . . . 0.45 112.53 -179.943 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.488 -0.245 . . . . 0.54 112.488 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -165.21 70.87 0.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.813 0.34 . . . . 0.45 110.833 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -159.15 126.66 4.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.51 110.881 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -172.87 107.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.54 110.9 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -123.66 71.24 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.53 110.9 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.8 m-70 -152.28 -74.38 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.44 110.89 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 52.1 m170 -91.64 89.43 7.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.53 110.866 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -179.56 -33.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.55 110.902 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.86 60.66 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.55 110.939 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -144.1 15.92 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.55 110.904 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -135.41 -41.01 0.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.55 111.173 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -147.4 78.31 1.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.55 110.934 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.61 -51.05 70.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.45 111.073 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.22 -46.93 55.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 2.31 110.945 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -51.39 -48.11 62.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.53 110.825 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -64.68 -36.77 85.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.44 110.856 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.7 mt -61.46 -56.5 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.52 111.125 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.2 m -59.15 -40.36 80.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.53 111.16 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.1 mm -56.24 -55.35 19.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.54 111.147 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.99 -51.46 58.16 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.74 -0.743 . . . . 0.44 112.531 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -60.22 -30.35 69.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.785 0.326 . . . . 0.43 110.889 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.557 ' HA ' ' CG1' ' A' ' 25' ' ' ILE . 2.2 mm -64.68 -41.34 91.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.54 111.142 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.447 ' C ' HG21 ' A' ' 26' ' ' ILE . 11.2 mt-10 -70.2 -23.01 62.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.44 110.909 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -91.24 -37.37 13.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 5.24 110.9 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.557 ' CG1' ' HA ' ' A' ' 22' ' ' ILE . 2.7 pp -66.77 -18.53 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.53 111.112 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.447 HG21 ' C ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -44.8 -18.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.54 111.147 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' ILE . 0.5 OUTLIER -88.19 -32.91 18.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 5.43 110.843 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 25' ' ' ILE . 1.4 mt-10 -142.45 140.53 31.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.232 -0.44 . . . . 4.54 110.829 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.494 ' HA ' ' CB ' ' A' ' 86' ' ' ALA . 2.1 t70 -76.61 -56.85 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 2.12 110.898 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -44.98 -36.88 3.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 5.33 110.949 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -50.37 -50.38 51.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 4.41 110.886 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -68.18 -37.26 80.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.44 110.951 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -50.48 -46.31 56.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 5.41 110.866 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.92 -55.43 7.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 5.52 110.904 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -53.08 -57.0 11.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.53 110.926 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -36.96 72.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 3.21 110.905 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.16 -42.4 90.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 5.32 110.851 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -66.2 -54.36 26.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 5.31 110.885 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -61.34 -36.45 80.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 4.43 110.888 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -62.14 -49.29 76.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 4.41 110.839 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -61.06 -54.25 47.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.492 . . . . 5.34 110.895 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -58.27 -48.9 78.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 5.41 110.942 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -60.25 -57.42 12.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.151 -0.477 . . . . 5.54 110.915 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.56 -23.49 58.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 5.55 110.993 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -93.35 14.66 17.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 5.41 110.877 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -152.43 -78.81 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 5.44 110.888 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.77 -176.18 3.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.498 . . . . 5.21 110.884 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -143.61 -167.11 2.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 5.21 110.875 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.74 -161.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 5.32 110.884 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.84 62.33 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.54 110.924 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -135.34 61.72 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 5.54 110.879 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -172.78 34.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 5.24 110.93 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -165.09 155.2 13.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.54 110.89 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.4 mp -85.32 -61.71 1.7 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.54 110.923 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.8 p -95.45 -28.08 15.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.42 110.873 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.92 -37.8 72.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.54 110.921 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.405 ' HB ' ' HD3' ' A' ' 58' ' ' PRO . 1.2 m -52.04 -57.85 13.51 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.573 0.701 . . . . 0.52 111.14 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.405 ' HD3' ' HB ' ' A' ' 57' ' ' THR . 54.4 Cg_endo -69.76 -52.27 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.629 2.219 . . . . 0.52 112.364 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.2 mm -52.78 -38.71 28.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.53 111.183 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -71.99 -51.7 20.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.43 110.865 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -56.71 -53.29 59.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.43 110.861 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -56.38 -57.37 12.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.41 110.927 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -50.98 -65.38 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.55 110.986 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 44.1 mm -50.35 -42.11 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.44 111.129 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -61.24 -45.29 95.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.41 110.829 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.5 mt -57.79 -57.84 8.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.53 111.097 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.35 -24.14 67.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.143 -0.481 . . . . 0.44 110.892 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.09 -56.3 9.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.52 110.85 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -49.12 74.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.55 110.836 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -55.95 -53.04 61.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.53 110.913 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.7 tt -67.5 -31.95 72.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.51 110.924 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -57.22 -53.05 62.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.44 110.864 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -74.3 -31.2 62.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.51 110.973 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.69 -43.25 84.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.52 110.933 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.86 -50.28 13.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.53 110.921 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.3 p -54.2 -34.41 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.55 111.08 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.55 2.2 56.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.52 110.906 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 79' ' ' ILE . 0.3 OUTLIER -82.09 -50.76 8.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.54 110.9 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 78' ' ' ARG . 1.2 tt 36.47 63.42 2.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.61 0.719 . . . . 0.54 111.096 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -49.09 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.257 . . . . 2.32 112.371 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.578 ' O ' ' HA2' ' A' ' 100' ' ' GLY . . . 123.58 -69.56 0.46 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.768 -0.73 . . . . 5.42 112.597 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.768 ' O ' ' N ' ' A' ' 84' ' ' MET . 65.8 t80 -67.17 155.6 38.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.809 0.338 . . . . 4.41 110.916 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -43.99 74.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 5.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.768 ' N ' ' O ' ' A' ' 82' ' ' PHE . 4.6 tpt -145.28 83.2 1.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.55 110.853 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.401 ' O ' ' CG2' ' A' ' 88' ' ' THR . 1.5 p30 171.56 47.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.54 110.876 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.494 ' CB ' ' HA ' ' A' ' 29' ' ' ASP . . . -77.71 -26.25 49.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.44 111.11 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -53.31 -40.54 64.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.45 110.906 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.401 ' CG2' ' O ' ' A' ' 85' ' ' ASP . 10.1 t -62.69 -32.69 73.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.51 111.109 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -64.95 -60.07 3.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.43 110.885 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.63 -13.62 61.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.54 110.815 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.25 -63.7 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.53 110.933 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.96 -86.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.44 110.823 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -135.1 -74.4 0.46 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.291 -0.413 . . . . 4.4 110.935 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -161.21 113.65 1.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 4.42 110.858 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.401 ' CB ' HG22 ' A' ' 88' ' ' THR . 0.0 OUTLIER -87.35 3.64 46.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.52 110.907 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -47.94 -37.74 15.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 4.23 110.826 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -48.29 -32.33 7.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 3.42 110.906 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.5 m -153.06 93.23 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.482 . . . . 0.55 111.101 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.3 t -117.04 -166.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.52 110.804 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.578 ' HA2' ' O ' ' A' ' 81' ' ' GLY . . . -42.42 -29.79 0.75 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.77 -0.729 . . . . 3.23 112.452 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -47.7 -66.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 5.34 110.916 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 9.7 tt -78.37 -39.48 24.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 4.51 111.158 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.448 ' HB3' ' HA2' ' A' ' 81' ' ' GLY . 0.6 OUTLIER -54.89 -59.16 5.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 3.33 110.907 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 81' ' ' GLY . 0.0 OUTLIER -58.19 -32.04 67.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 5.44 110.876 179.834 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.7 ttt -50.99 -57.38 8.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 4.31 110.926 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.2 mt -90.52 -45.06 9.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 5.22 110.936 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 109' ' ' PHE . 0.1 OUTLIER -68.34 -1.34 6.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 5.31 110.887 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -41.57 -26.62 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 5.53 111.15 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 107' ' ' LEU . 74.2 t80 -50.15 -25.83 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 5.21 110.939 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.6 t -158.51 67.43 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 5.55 111.048 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.67 178.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 4.34 110.905 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.514 ' CD1' ' HB3' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -56.45 -12.74 1.84 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.242 -0.436 . . . . 5.41 110.895 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.414 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 0.7 OUTLIER -37.31 -57.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 5.34 110.886 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.49 ' O ' ' HB3' ' A' ' 117' ' ' GLU . . . -80.28 -52.84 7.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 5.12 111.083 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -52.93 -61.53 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 4.21 110.89 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -57.24 -39.32 75.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 5.55 110.901 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.49 ' HB3' ' O ' ' A' ' 114' ' ' ALA . 4.0 tt0 -44.88 -60.85 1.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 5.24 110.924 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -80.62 -50.2 10.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.126 -0.488 . . . . 4.15 110.865 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -54.02 -61.21 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.44 110.923 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.436 ' CB ' ' O ' ' A' ' 116' ' ' LYS . 4.2 m -56.22 -45.46 79.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.44 111.154 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -50.77 -42.5 57.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.51 110.8 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -79.08 -57.16 3.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.45 110.94 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -50.93 -48.49 60.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.54 110.913 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.97 -64.91 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.54 111.025 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -49.72 -24.8 2.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.51 110.877 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.72 -49.6 61.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.44 110.855 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.47 -14.24 61.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.43 110.835 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 112.45 40.74 1.1 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.753 -0.737 . . . . 0.41 112.479 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -37.05 -55.35 0.94 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.885 0.374 . . . . 4.54 110.853 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.43 112.524 -179.936 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.458 -0.257 . . . . 54.24 112.458 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -171.16 98.93 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 75.1 110.872 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -146.72 150.72 35.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 4.2 110.868 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -101.31 -169.96 1.77 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.243 -0.435 . . . . 4.44 110.843 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -169.11 95.25 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 4.34 110.836 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.52 -172.27 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 5.13 110.871 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -51.89 153.16 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 3.12 110.853 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -179.88 -31.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.53 110.856 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -76.28 58.43 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 4.41 110.853 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -141.21 10.83 2.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.53 110.909 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -143.19 12.99 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.42 111.061 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.6 t70 63.87 95.73 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.53 110.838 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.42 -30.58 64.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.52 111.064 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -48.86 -59.32 3.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.54 110.943 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -52.94 -38.39 61.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.51 110.899 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -68.41 -38.12 80.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.52 110.891 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.9 mt -63.39 -57.81 10.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.55 111.138 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 m -61.31 -37.11 76.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.51 111.107 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.0 mm -58.32 -55.46 22.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.53 111.166 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.31 -46.46 93.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.42 112.522 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -66.1 -24.69 66.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.44 110.847 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.563 ' O ' HG23 ' A' ' 25' ' ' ILE . 1.1 mm -72.22 -42.87 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.52 111.158 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.453 ' O ' ' CD1' ' A' ' 26' ' ' ILE . 4.6 pt-20 -70.5 -24.56 62.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.55 110.883 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -92.04 -41.35 10.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 3.52 110.875 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -53.65 -27.46 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.54 111.099 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.46 HG22 ' HB1' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -47.27 -18.89 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 4.31 111.133 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.43 ' N ' HD11 ' A' ' 26' ' ' ILE . 1.6 mmm -91.32 -32.08 15.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 5.42 110.932 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 25' ' ' ILE . 0.4 OUTLIER -163.36 128.47 3.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 4.43 110.879 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.415 ' HA ' ' CG1' ' A' ' 25' ' ' ILE . 13.8 m-20 -67.79 -30.62 70.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 4.41 110.849 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -45.23 -46.65 12.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 4.43 110.877 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -55.9 -34.79 65.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 5.41 110.795 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.516 ' HG3' ' HA ' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -63.14 -41.82 99.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.5 110.902 -179.854 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -55.22 -46.84 75.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 5.52 110.849 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.57 -55.98 12.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 63.11 110.854 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -54.39 -55.45 28.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 5.44 110.933 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -48.98 -54.33 16.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 5.51 110.886 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.2 t -54.07 -33.13 56.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 4.52 110.914 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -60.71 -54.35 46.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.507 . . . . 4.32 110.915 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -71.14 -38.66 72.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 5.23 110.881 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.74 -50.98 62.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 5.11 110.938 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -71.96 -45.84 59.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 5.23 110.87 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -53.42 -42.83 67.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.279 -0.419 . . . . 5.31 110.928 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -73.75 -50.57 20.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.089 -0.505 . . . . 5.01 110.98 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -56.02 -23.92 36.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 5.34 110.893 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -59.51 -40.56 87.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 4.41 110.892 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -179.73 -34.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.074 -0.512 . . . . 5.4 110.899 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.14 151.91 4.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 4.54 110.891 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -114.38 174.8 5.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 5.0 110.81 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.6 m -121.42 -163.12 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 2.03 110.817 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 68.19 22.21 8.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 0.52 110.876 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 51.63 -169.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.54 110.876 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -140.2 38.0 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.52 110.915 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.05 179.22 4.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.44 110.919 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.6 mt -84.7 -60.92 1.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.45 110.942 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.34 -25.39 16.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.53 110.87 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.6 -34.9 67.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.52 110.954 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.415 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.2 m -57.71 -55.55 43.62 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.546 0.688 . . . . 0.5 111.127 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.415 ' CD ' ' N ' ' A' ' 57' ' ' THR . 53.0 Cg_endo -69.75 -52.64 0.31 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.62 2.214 . . . . 0.44 112.337 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.6 tt -53.63 -34.28 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.53 111.101 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -73.65 -53.28 10.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.51 110.881 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -58.54 -52.25 66.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.55 110.971 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -55.92 -50.47 70.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.52 110.915 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -51.57 -55.98 16.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.55 110.872 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.4 mm -61.6 -36.96 76.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.52 111.094 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.04 -36.35 81.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.5 110.919 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.8 mt -65.79 -55.27 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.51 111.088 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 tt -61.9 -48.89 78.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.54 110.954 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -58.84 -36.81 75.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.43 110.872 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -63.66 -61.59 2.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 0.55 110.935 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -52.48 61.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.53 110.906 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.475 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -52.26 -66.95 0.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.53 110.962 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -45.29 -44.94 11.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.54 110.9 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -53.68 -47.1 70.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.54 110.885 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -72.44 -42.91 64.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.53 110.92 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.505 ' HG ' ' CB ' ' A' ' 91' ' ' LEU . 3.5 mm? -49.91 -48.25 51.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.44 110.925 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.5 p -80.09 -30.26 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.45 111.105 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -71.98 -10.47 59.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.45 110.898 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -128.37 -70.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.55 110.901 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.5 mt 65.97 71.27 0.5 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.736 . . . . 0.53 111.129 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -23.77 30.58 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.668 2.245 . . . . 5.24 112.36 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.408 ' HA3' ' N ' ' A' ' 104' ' ' ASP . . . 90.22 -65.58 2.83 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 3.43 112.527 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -61.08 136.1 57.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 5.44 110.843 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.53 72.25 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 5.22 110.883 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 113' ' ' MET . 28.0 mmm -74.91 -12.49 60.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 5.14 110.818 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.567 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 1.7 p-10 -170.01 -177.38 2.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.53 110.847 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.56 ' HB3' ' CG2' ' A' ' 25' ' ' ILE . . . -79.63 -8.02 58.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.54 111.154 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.462 ' CD2' ' CD1' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -45.1 -29.56 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.55 110.907 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.462 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 55.4 m -75.92 -39.63 55.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.55 111.146 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.516 ' HA ' ' HG3' ' A' ' 32' ' ' GLN . 4.8 t60 -47.67 -56.52 7.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.54 110.845 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.97 -36.37 81.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.52 110.832 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.505 ' CB ' ' HG ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -68.76 -20.91 64.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.5 110.893 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.407 ' HG3' ' CD ' ' A' ' 32' ' ' GLN . 0.2 OUTLIER -49.48 -15.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 5.42 110.873 179.818 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.416 ' H ' ' C ' ' A' ' 91' ' ' LEU . 1.8 mm100 -45.05 -26.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.53 110.948 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -144.51 -29.73 0.47 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.198 -0.455 . . . . 2.32 110.873 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -1.53 15.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.51 110.929 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -51.29 -40.15 58.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 4.52 110.826 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.97 -28.74 69.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 4.44 110.884 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.7 p -133.42 105.61 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.55 111.145 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.9 t -107.54 -175.12 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.45 110.83 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 104' ' ' ASP . . . -47.04 -25.58 2.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.767 -0.73 . . . . 4.33 112.536 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -39.66 -67.35 0.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 5.52 110.81 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -84.91 -39.78 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 4.54 111.176 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.405 ' CB ' ' HA2' ' A' ' 81' ' ' GLY . 86.7 mt -59.19 -59.62 5.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 4.33 110.92 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -59.72 -35.09 73.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 5.35 110.914 179.807 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.74 -46.04 70.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 4.42 110.841 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 35.2 mt -87.85 -51.47 5.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.437 . . . . 4.52 110.869 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.415 ' C ' ' N ' ' A' ' 109' ' ' PHE . 4.4 mm? -64.0 -7.1 7.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 5.33 110.914 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -47.41 -17.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 4.52 111.126 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.415 ' N ' ' C ' ' A' ' 107' ' ' LEU . 54.8 t80 -53.23 -27.12 20.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 5.52 110.873 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.5 t 177.42 81.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 5.2 111.103 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -52.53 172.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 5.55 110.889 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.432 ' O ' ' N ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -70.82 0.74 6.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.54 110.877 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.478 ' N ' ' HG3' ' A' ' 84' ' ' MET . 50.6 ttp -38.93 -29.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 5.15 110.872 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 112' ' ' PHE . . . -62.51 -71.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 5.03 111.04 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -68.71 -28.65 67.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.54 110.892 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 120' ' ' THR . 0.8 OUTLIER -72.96 -32.94 65.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.54 110.943 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -47.32 -53.69 12.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.138 -0.483 . . . . 5.43 110.9 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -51.63 9.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.43 110.853 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -56.12 -57.99 9.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.998 0.428 . . . . 0.53 110.891 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 116' ' ' LYS . 35.1 m -52.58 -47.45 66.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.52 111.135 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -45.71 -40.9 9.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.54 110.84 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -76.41 -57.38 3.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.54 110.897 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -54.27 -57.96 9.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.44 110.845 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -52.68 -63.45 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.54 111.169 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.37 -24.49 12.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.55 110.874 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.58 -50.46 13.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.54 110.884 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -69.19 -13.65 62.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.53 110.959 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 95.52 39.85 4.33 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.712 -0.756 . . . . 0.53 112.428 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.55 -26.07 3.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 4.12 110.864 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 5.35 112.491 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.434 -0.266 . . . . 0.54 112.434 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -110.73 111.95 23.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.863 0.363 . . . . 0.44 110.806 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -157.86 25.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.5 110.86 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -136.29 149.45 48.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.45 110.845 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -94.19 40.9 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.55 110.802 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 51.89 54.41 10.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.55 110.956 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -141.71 -169.29 2.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.51 110.888 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.93 -168.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.51 110.896 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 64.89 157.24 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.45 110.901 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.1 t0 63.88 23.5 13.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.51 110.845 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -164.91 -40.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.54 111.069 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.84 84.12 1.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.51 110.879 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.16 -32.0 66.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.44 111.088 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -47.74 -56.49 7.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.53 110.901 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -50.89 -46.5 60.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.53 110.864 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.51 -37.61 87.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.51 110.912 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.3 mm -60.97 -55.94 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.44 111.136 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.1 m -61.07 -38.65 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.51 111.115 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.3 mm -56.65 -56.52 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.55 111.12 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.95 -49.79 74.56 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.772 -0.728 . . . . 0.4 112.579 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -63.22 -27.49 69.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 0.52 110.876 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.587 ' O ' HG13 ' A' ' 25' ' ' ILE . 1.6 mm -65.0 -43.82 96.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.54 111.134 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -68.31 -28.81 67.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.54 110.878 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.38 -49.44 9.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 5.43 110.858 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 22' ' ' ILE . 2.9 pp -50.87 -24.96 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.51 111.151 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 22' ' ' ILE . 8.4 mt -48.54 -18.24 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.54 111.079 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.8 mtt -85.27 -32.11 22.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 5.31 110.868 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -149.35 140.94 23.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 5.53 110.838 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.477 ' HA ' ' HB1' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -79.11 -54.66 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 2.23 110.827 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.23 -50.66 8.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 5.34 110.829 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -49.03 -36.01 16.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 4.4 110.847 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.567 HE21 ' N ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -68.03 -38.65 82.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.52 110.929 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.567 ' N ' HE21 ' A' ' 32' ' ' GLN . 2.2 t60 -55.1 -43.62 74.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 5.2 110.86 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 mp -70.15 -56.75 6.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.246 -0.434 . . . . 74.54 110.951 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -56.67 -55.91 28.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.45 110.89 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 -51.02 -52.98 37.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 5.23 110.914 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.4 t -51.75 -38.27 54.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 5.44 110.874 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -62.52 -54.05 45.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 4.33 110.891 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.1 tpt -66.46 -30.99 71.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 5.14 110.895 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -62.11 -55.68 26.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 5.31 110.887 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -45.03 89.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 5.51 110.871 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -58.92 -41.36 87.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 5.33 110.919 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -74.0 -52.24 13.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 5.35 110.931 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -54.77 -30.1 55.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.509 . . . . 5.34 110.911 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.34 -17.27 58.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 5.4 110.876 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -119.28 -77.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 5.53 110.919 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -142.68 -172.8 3.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 5.32 110.895 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -122.46 -169.82 1.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 5.35 110.862 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.2 m -80.18 -163.43 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.44 110.858 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 65.06 19.86 11.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.12 -0.491 . . . . 0.45 110.917 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -142.58 136.02 28.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 4.21 110.901 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -174.38 -75.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.54 110.847 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.33 -165.31 2.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.51 110.859 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.33 -50.38 11.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.227 -0.442 . . . . 0.54 110.929 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 p -93.26 -27.27 16.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.42 110.849 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -71.37 -39.03 71.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.54 110.915 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.1 m -51.3 -57.56 13.68 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.587 0.708 . . . . 0.52 111.151 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -52.72 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.734 2.29 . . . . 0.45 112.288 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.1 mt -52.53 -39.22 28.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.55 111.174 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -71.57 -52.13 19.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.54 110.848 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -53.85 -53.84 46.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.44 110.896 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -57.08 -55.85 29.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.54 110.887 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -51.23 -51.47 53.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.44 110.814 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.1 mm -62.65 -33.55 60.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.53 111.108 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -37.92 85.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.53 110.847 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.6 mt -70.28 -52.46 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.55 111.111 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -46.89 84.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.52 110.928 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -67.44 -33.19 74.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.45 110.886 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.06 -55.75 30.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.54 110.851 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -63.77 -52.31 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.55 110.82 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.35 -40.96 68.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.446 . . . . 0.53 110.904 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -64.95 -46.53 81.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.43 110.86 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -58.66 -33.98 70.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.51 110.907 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -80.5 -50.08 10.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.45 110.902 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.65 -26.36 68.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.5 110.919 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.5 p -87.11 -35.32 8.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.42 111.107 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -88.83 2.63 53.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.52 110.833 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -96.12 -47.09 6.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.54 110.901 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 78' ' ' ARG . 0.8 OUTLIER 34.78 62.13 2.15 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.678 0.752 . . . . 0.54 111.103 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -34.06 15.25 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.73 2.287 . . . . 0.45 112.334 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.437 ' CA ' ' HB3' ' A' ' 103' ' ' LEU . . . 89.43 -24.16 15.54 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.775 -0.726 . . . . 4.32 112.522 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.758 ' O ' ' N ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -94.42 153.86 17.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 5.4 110.827 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -46.1 73.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.492 . . . . 5.13 110.882 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.758 ' N ' ' O ' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -83.28 -169.43 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.45 110.844 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -50.37 121.29 5.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.52 110.82 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.477 ' HB1' ' HA ' ' A' ' 29' ' ' ASP . . . -68.6 -8.55 42.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.54 111.094 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -46.16 -29.02 1.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.45 110.926 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.9 t -58.13 -46.29 85.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.53 111.223 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -59.93 -56.61 19.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.54 110.851 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.12 -10.95 60.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.51 110.888 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.9 tp -75.52 -61.55 1.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.54 110.875 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -84.82 -87.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.54 110.899 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -135.56 -77.14 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 5.14 110.927 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -164.22 89.61 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 5.45 110.862 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.49 6.45 10.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.256 -0.429 . . . . 0.54 110.92 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -45.98 -44.25 14.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 3.41 110.915 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -45.73 -30.48 1.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 5.42 110.875 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 13.9 t -154.99 95.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 0.45 111.117 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.6 t -115.44 -177.84 3.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.52 110.817 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 104' ' ' ASP . . . -50.86 -18.42 2.77 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.717 -0.754 . . . . 4.14 112.426 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.86 -63.25 1.02 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.791 0.329 . . . . 4.41 110.901 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.428 HG22 ' H ' ' A' ' 103' ' ' LEU . 2.4 tt -63.73 -58.83 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 4.53 111.15 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.437 ' HB3' ' CA ' ' A' ' 81' ' ' GLY . 4.3 mm? -52.96 -28.1 22.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 4.22 110.897 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' A' ' 100' ' ' GLY . 6.2 t70 -65.51 -41.81 92.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 4.44 110.909 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -37.75 67.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 5.1 110.85 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -88.79 -56.47 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 5.04 110.945 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 109' ' ' PHE . 0.2 OUTLIER -73.27 5.0 3.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 5.42 110.927 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.4 OUTLIER -40.63 -21.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 5.32 111.137 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 107' ' ' LEU . 19.1 t80 -43.84 -29.57 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 5.54 110.909 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.546 ' O ' ' O ' ' A' ' 111' ' ' ASP . 1.1 t -151.86 77.44 1.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 5.43 111.142 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.546 ' O ' ' O ' ' A' ' 110' ' ' THR . 13.7 p-10 -43.42 178.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 5.03 110.877 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -9.95 0.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 5.32 110.853 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.409 ' H ' ' C ' ' A' ' 111' ' ' ASP . 0.0 OUTLIER -40.12 -38.52 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 5.11 110.814 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.437 ' O ' ' HB3' ' A' ' 117' ' ' GLU . . . -79.55 -57.24 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 5.45 111.179 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -57.39 -57.27 13.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 3.5 110.926 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 120' ' ' THR . 0.0 OUTLIER -56.72 -40.15 75.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 4.45 110.888 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.437 ' HB3' ' O ' ' A' ' 114' ' ' ALA . 5.8 tp10 -45.44 -59.07 2.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 5.02 110.854 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.82 -53.5 6.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.44 110.874 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -53.22 -61.7 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.55 110.898 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.47 ' CB ' ' O ' ' A' ' 116' ' ' LYS . 3.9 m -55.31 -44.24 75.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.44 111.08 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -48.06 -48.51 33.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.44 110.916 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.07 -56.35 4.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.44 110.905 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.33 -54.52 20.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.52 110.874 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.11 -64.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.55 111.102 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -48.26 -27.15 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.42 110.851 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.48 -49.49 66.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.187 -0.46 . . . . 0.53 110.898 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.22 -10.29 56.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.44 110.841 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.668 ' O ' ' C ' ' A' ' 129' ' ' ARG . . . 81.97 39.79 11.26 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.776 -0.725 . . . . 0.52 112.483 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.668 ' C ' ' O ' ' A' ' 128' ' ' GLY . 0.0 OUTLIER -6.26 -80.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.327 . . . . 4.42 110.911 -179.845 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.723 . . . . 0.5 112.497 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.465 -0.254 . . . . 4.33 112.465 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -160.75 -177.96 6.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 4.44 110.852 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 59.24 83.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 2.5 110.833 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -141.15 25.17 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 4.13 110.883 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 69.17 -75.86 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 5.54 110.871 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 63.2 179.23 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.42 110.868 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 61.88 -176.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.45 110.845 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.78 18.25 0.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.54 110.934 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 42.29 -162.15 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.182 -0.463 . . . . 5.52 110.821 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 48.12 31.94 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.508 . . . . 2.04 110.878 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -154.79 -74.0 0.12 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.52 111.064 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -168.13 29.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.5 110.868 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.21 -48.13 45.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.53 111.127 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.36 -59.99 3.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.51 110.891 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -53.75 -39.06 65.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.51 110.903 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.1 -35.33 80.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.54 110.952 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.7 mm -63.07 -61.52 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.486 . . . . 0.55 111.122 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.1 m -59.55 -37.67 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.55 111.121 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.427 ' O ' HG23 ' A' ' 22' ' ' ILE . 4.4 mm -56.92 -58.89 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.55 111.123 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.86 -42.42 53.31 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.45 112.526 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.44 ' O ' ' CG2' ' A' ' 25' ' ' ILE . 3.2 m120 -58.42 -40.16 81.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.367 . . . . 0.52 110.912 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.59 ' O ' HG13 ' A' ' 25' ' ' ILE . 2.5 tp -50.39 -40.11 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.55 111.142 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.457 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 2.7 pt-20 -67.11 -26.39 66.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.52 110.821 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.1 -27.26 17.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.199 -0.455 . . . . 4.34 110.85 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.59 HG13 ' O ' ' A' ' 22' ' ' ILE . 1.2 pp -69.05 -20.19 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 1.01 111.152 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.418 HD12 ' N ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -37.96 -28.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 4.15 111.155 179.876 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 25' ' ' ILE . 2.8 mtt -91.17 -36.13 14.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 5.43 110.865 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -174.68 114.96 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 4.41 110.831 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.439 ' O ' ' CB ' ' A' ' 33' ' ' HIS . 0.3 OUTLIER -87.64 -26.67 22.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 4.31 110.817 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -45.57 -55.78 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 5.53 110.885 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.408 ' O ' ' HB3' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -85.59 -56.79 3.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 72.53 110.863 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -48.23 -55.18 11.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 5.52 110.88 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' SER . 4.8 t60 -68.04 -38.79 82.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.54 110.863 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.434 ' CB ' ' O ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER -43.01 -55.97 3.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 65.11 110.872 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -77.02 -54.42 6.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 61.34 110.897 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -52.14 -63.57 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.54 110.891 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 33' ' ' HIS . 1.0 OUTLIER -54.5 -41.46 69.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.54 110.878 -179.792 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -49.66 -54.72 16.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 5.33 110.862 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 84.2 mtp -60.88 -51.44 69.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 4.52 110.888 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -56.27 -34.38 66.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 4.24 110.929 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -67.93 -65.49 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 4.24 110.841 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -56.53 -16.78 6.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 5.33 110.908 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -78.51 -61.99 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 5.43 110.885 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.61 -48.14 4.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 5.21 110.942 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -53.73 -23.42 11.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 4.32 110.877 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -65.81 -81.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 5.53 110.911 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -145.44 95.2 2.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 4.42 110.899 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.38 -167.7 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 3.43 110.844 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.67 -170.37 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 3.34 110.844 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -48.08 -71.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.504 . . . . 0.52 110.887 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 47.77 86.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 3.25 110.894 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -148.89 -169.87 3.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.55 110.845 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -56.44 -179.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.45 110.927 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.02 -38.28 90.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.54 110.935 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.47 -29.19 15.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.54 110.892 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -71.79 -38.75 70.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.55 110.909 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.407 ' HB ' ' HD3' ' A' ' 58' ' ' PRO . 1.1 m -51.08 -57.6 13.28 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.59 0.71 . . . . 0.53 111.157 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.407 ' HD3' ' HB ' ' A' ' 57' ' ' THR . 53.3 Cg_endo -69.81 -51.13 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.669 2.246 . . . . 0.55 112.281 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 22.8 mm -53.86 -35.28 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.53 111.134 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -74.06 -52.09 13.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.54 110.902 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.55 -48.1 80.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.43 110.813 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -62.14 -49.2 76.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.5 110.852 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -52.65 -66.16 0.43 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.52 110.953 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.2 mm -50.78 -43.09 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.51 . . . . 0.55 111.127 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -62.14 -40.43 95.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.51 110.838 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.6 mt -61.03 -57.27 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.43 111.17 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.71 -36.46 83.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.44 110.912 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -56.47 -56.8 16.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.51 110.879 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -46.93 73.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.54 110.872 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -53.79 -53.32 53.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.264 -0.425 . . . . 0.51 110.861 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.6 mt -71.54 -29.0 64.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.54 110.887 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -56.34 -54.69 42.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.52 110.865 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -75.62 -38.01 59.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.53 110.887 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.83 -46.6 88.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.54 110.906 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.41 -60.02 2.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.51 110.815 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 p -48.01 -27.58 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.43 111.089 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.38 -37.53 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.53 110.898 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 79' ' ' ILE . 10.9 mmt-85 -128.12 -27.63 2.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.54 110.943 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.431 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.5 OUTLIER 36.37 55.01 2.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.629 0.728 . . . . 0.52 111.167 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.478 ' O ' ' C ' ' A' ' 81' ' ' GLY . 53.7 Cg_endo -69.71 110.12 2.47 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.732 2.288 . . . . 0.54 112.352 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.534 ' HA3' ' HA ' ' A' ' 103' ' ' LEU . . . -29.97 -45.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.703 -0.76 . . . . 4.41 112.486 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.532 ' HB3' ' HB3' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -51.73 152.87 2.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 5.23 110.846 -179.865 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -65.12 74.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 5.22 110.924 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.453 ' SD ' ' N ' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -88.6 -12.9 41.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.52 110.936 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.453 ' N ' ' SD ' ' A' ' 84' ' ' MET . 0.5 OUTLIER 167.35 113.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.55 110.886 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.36 -21.26 23.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.5 111.116 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.449 ' O ' ' CB ' ' A' ' 91' ' ' LEU . 4.6 m-85 -55.89 -52.72 63.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.53 110.866 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.5 t -57.9 -29.81 65.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.53 111.089 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.443 ' HB3' ' CA ' ' A' ' 96' ' ' ASP . 0.3 OUTLIER -64.26 -62.36 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.53 110.903 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.0 t -74.42 -18.8 60.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.5 110.813 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.449 ' CB ' ' O ' ' A' ' 87' ' ' PHE . 5.9 tp -79.1 -58.33 3.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.45 110.912 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.81 -84.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.53 110.913 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -132.66 -78.01 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 5.41 110.927 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -159.32 23.59 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 5.4 110.777 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.0 -15.72 2.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.44 110.863 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.443 ' CA ' ' HB3' ' A' ' 89' ' ' HIS . 4.2 p30 -49.65 -27.24 4.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 3.11 110.916 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.412 ' O ' ' HB ' ' A' ' 98' ' ' VAL . 0.3 OUTLIER -55.34 -55.28 33.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 5.44 110.888 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' A' ' 97' ' ' GLU . 9.8 p 178.82 140.93 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 71.14 111.121 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.0 t -107.65 86.83 2.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 5.4 110.894 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -94.45 -68.18 1.04 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 4.5 112.394 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -64.88 -48.62 73.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 33.12 110.845 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.455 HG21 ' HA2' ' A' ' 81' ' ' GLY . 2.2 tp -59.96 -37.01 70.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 3.4 111.127 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.534 ' HA ' ' HA3' ' A' ' 81' ' ' GLY . 0.2 OUTLIER -57.09 -58.11 9.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 5.34 110.867 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.42 ' N ' ' CD1' ' A' ' 103' ' ' LEU . 0.3 OUTLIER -70.58 -37.08 73.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 5.24 110.805 179.859 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.0 mtt -59.0 -46.68 87.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 5.03 110.837 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -84.26 -48.85 9.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 5.43 110.869 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.487 ' CB ' ' O ' ' A' ' 103' ' ' LEU . 1.8 tm? -45.24 -35.17 3.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 5.52 110.925 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.4 ' CG2' ' N ' ' A' ' 109' ' ' PHE . 11.8 t -43.5 -43.25 5.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 5.11 111.132 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.4 ' N ' ' CG2' ' A' ' 108' ' ' THR . 0.3 OUTLIER -130.91 -54.04 1.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 4.34 110.885 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.3 m -96.16 99.94 11.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 5.32 111.146 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -109.57 156.58 19.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 5.51 110.892 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.532 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -57.24 -17.46 11.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 5.43 110.913 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 9.6 ttt -38.38 -50.02 1.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 5.13 110.892 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' A' ' 117' ' ' GLU . . . -78.52 -55.0 5.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 4.54 111.081 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -63.63 1.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.53 110.904 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -50.13 -40.26 45.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 4.41 110.916 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.433 ' HB3' ' O ' ' A' ' 114' ' ' ALA . 7.7 tp10 -46.69 -59.87 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 4.4 110.856 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -79.73 -52.33 8.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.54 110.877 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -52.33 -61.53 2.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.45 110.89 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.452 ' CB ' ' O ' ' A' ' 116' ' ' LYS . 4.3 m -55.62 -44.99 77.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.54 111.107 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -51.78 -42.14 62.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.52 110.848 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -79.43 -57.05 3.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.54 110.906 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -45.05 56.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.53 110.909 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.4 -63.95 0.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.53 111.071 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.8 -24.87 1.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.54 110.882 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.5 ttmm -67.79 -49.91 59.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.154 -0.475 . . . . 0.54 110.843 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -72.59 -14.22 61.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.43 110.881 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 112.3 40.59 1.13 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.667 -0.778 . . . . 0.5 112.489 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.36 -60.5 0.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.822 0.344 . . . . 3.34 110.863 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 2.53 112.555 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.545 ' HB1' ' OD1' ' A' ' 52' ' ' ASN . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.791 0.329 . . . . 0.51 111.119 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -122.1 82.88 2.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.5 110.875 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.46 -50.17 73.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.42 111.076 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.437 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.0 pp20? -50.66 -40.97 54.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.51 110.928 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.426 ' CE1' HD11 ' A' ' 64' ' ' ILE . 26.4 t80 -57.88 -55.63 32.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.4 110.845 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -58.72 -33.6 70.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.44 110.871 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 14' ' ' GLU . 88.4 mt -62.59 -57.12 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.53 111.106 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.4 m -63.35 -34.69 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.54 111.17 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.6 mm -59.54 -56.24 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.55 111.115 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.98 -52.01 55.9 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.44 112.514 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.648 ' O ' HG23 ' A' ' 25' ' ' ILE . 63.9 m-80 -61.96 -27.35 68.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.54 110.888 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.584 ' O ' HG13 ' A' ' 25' ' ' ILE . 0.8 OUTLIER -64.91 -47.61 87.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.44 111.133 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.423 ' C ' HG12 ' A' ' 26' ' ' ILE . 0.7 OUTLIER -63.75 -29.33 70.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.54 110.927 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -82.52 -47.88 11.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 5.33 110.859 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.031 HD13 ' HB3' ' A' ' 86' ' ' ALA . 2.8 pp -58.47 -18.52 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.51 111.121 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.733 ' CG2' HG23 ' A' ' 120' ' ' THR . 50.1 mm -42.62 -27.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.53 111.111 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -95.34 -31.03 13.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 4.12 110.891 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 25' ' ' ILE . 13.6 mt-10 -132.4 126.25 32.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 5.32 110.875 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.967 ' HA ' ' HB2' ' A' ' 86' ' ' ALA . 2.6 m-20 -78.94 -47.11 17.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 3.13 110.892 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -47.01 -44.12 20.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 5.03 110.887 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.57 ' HB3' HG22 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -49.26 -41.75 38.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 5.43 110.901 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.688 ' HB2' HG21 ' A' ' 25' ' ' ILE . 1.5 tt0 -68.77 -41.33 78.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.54 110.892 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -50.24 -44.34 53.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 5.41 110.832 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.68 -57.73 3.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 71.22 110.897 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -54.71 -57.16 12.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 3.21 110.918 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -52.05 -51.59 56.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 4.41 110.904 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.0 t -51.28 -38.41 52.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 4.35 110.833 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -65.44 -53.61 40.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 5.51 110.888 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -35.92 80.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 5.02 110.878 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.426 ' O ' HD23 ' A' ' 44' ' ' LEU . 30.4 tt0 -61.37 -55.02 36.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 5.42 110.874 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -59.04 -46.74 87.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 3.21 110.913 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.05 -50.35 73.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 4.55 110.937 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -61.3 -55.44 31.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 5.55 110.945 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 40' ' ' GLU . 4.2 mm? -57.34 -29.4 63.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 5.51 110.925 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -91.98 14.31 16.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 5.45 110.873 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -135.65 -79.86 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 5.32 110.893 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -143.29 -172.55 3.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 5.42 110.84 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.45 -169.03 2.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 4.24 110.862 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.7 m -69.26 -164.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.52 110.875 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 63.82 21.86 12.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.45 110.874 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 57' ' ' THR . 0.1 OUTLIER -94.15 -163.33 1.03 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 3.15 110.924 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.545 ' OD1' ' HB1' ' A' ' 11' ' ' ALA . 3.4 m-80 70.88 -173.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.55 110.835 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -169.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.54 110.91 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.5 mp -81.45 -21.43 38.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.53 110.89 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.92 -36.51 14.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.54 110.851 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -69.05 -33.57 73.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.54 110.904 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.491 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -51.15 -59.96 6.63 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.543 0.687 . . . . 0.54 111.157 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 57' ' ' THR . 53.5 Cg_endo -69.79 -51.15 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.54 112.315 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.8 mt -52.64 -40.19 33.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.44 111.137 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -71.67 -51.72 21.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.44 110.869 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -55.28 -51.0 68.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.44 110.924 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -57.6 -57.37 13.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.43 110.923 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.635 ' HA ' HD12 ' A' ' 66' ' ' ILE . 1.6 m-85 -50.78 -63.04 1.25 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.44 110.921 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.426 HD11 ' CE1' ' A' ' 15' ' ' PHE . 37.5 mm -52.19 -44.13 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.44 111.103 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -60.87 -36.74 79.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.54 110.924 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.635 HD12 ' HA ' ' A' ' 63' ' ' TYR . 12.0 mt -64.27 -57.1 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.33 111.14 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.576 ' HG ' HD12 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -63.94 -49.82 71.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.42 110.907 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -54.48 -42.09 70.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.5 110.892 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -54.96 31.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.53 110.941 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -58.48 -52.34 66.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.53 110.88 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.684 HD22 ' CG ' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -62.67 -30.76 71.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.45 110.932 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.521 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.5 tm-20 -61.61 -54.52 41.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.45 110.892 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -62.48 -38.66 90.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.44 110.885 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.89 -50.83 61.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.44 110.873 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.807 HD12 ' HB ' ' A' ' 88' ' ' THR . 3.5 mm? -62.67 -40.03 95.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.52 110.906 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 72' ' ' GLU . 25.6 t -60.99 -51.06 77.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.31 111.12 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -83.76 2.73 36.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.41 110.875 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.45 ' HB2' ' HA ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -68.0 -69.86 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.55 110.859 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.437 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 16.7 mt 39.21 54.88 5.36 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.65 0.738 . . . . 0.52 111.109 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.445 ' HB3' ' CG ' ' A' ' 115' ' ' PHE . 53.8 Cg_endo -69.78 -49.38 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.709 2.273 . . . . 1.42 112.357 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.595 ' O ' ' HA2' ' A' ' 100' ' ' GLY . . . 126.59 -70.83 0.49 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 2.12 112.478 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.749 ' O ' ' N ' ' A' ' 84' ' ' MET . 4.0 t80 -79.22 153.69 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.883 0.373 . . . . 4.52 110.854 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -41.42 77.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 4.33 110.904 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.749 ' N ' ' O ' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -78.39 -66.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.55 110.9 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.461 ' CG ' HD11 ' A' ' 75' ' ' LEU . 11.3 p30 -148.23 132.79 17.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.41 110.899 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 1.031 ' HB3' HD13 ' A' ' 25' ' ' ILE . . . -75.06 -9.7 58.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.43 111.096 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.684 ' CG ' HD22 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -45.38 -31.18 1.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.45 110.892 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.807 ' HB ' HD12 ' A' ' 75' ' ' LEU . 8.2 t -62.8 -43.67 98.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.42 111.146 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.444 ' N ' HG23 ' A' ' 88' ' ' THR . 31.8 t-80 -58.62 -54.78 43.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.52 110.845 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.9 t -75.29 -13.28 60.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.42 110.87 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.3 tp -71.19 -64.44 0.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.51 110.933 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -87.8 -85.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.53 110.863 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -133.12 -73.51 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 4.1 110.922 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -161.93 112.78 1.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 5.15 110.87 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.561 ' HE3' HG21 ' A' ' 88' ' ' THR . 0.0 OUTLIER -84.86 1.0 49.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.44 110.886 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -50.57 -40.55 52.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 4.42 110.883 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -53.29 -29.94 35.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 4.51 110.861 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 98' ' ' VAL . 15.9 m -153.37 97.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.51 111.131 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.2 t -116.23 -164.69 0.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 4.44 110.839 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.595 ' HA2' ' O ' ' A' ' 81' ' ' GLY . . . -39.97 -32.25 0.35 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.697 -0.763 . . . . 5.24 112.509 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.1 -67.35 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 5.02 110.85 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.55 HG23 HD22 ' A' ' 103' ' ' LEU . 1.1 tt -81.24 -41.58 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 4.45 111.171 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.55 HD22 HG23 ' A' ' 102' ' ' ILE . 3.9 mm? -52.28 -60.96 2.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 4.2 110.957 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.498 ' HB3' ' O ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -60.78 -30.41 70.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 5.54 110.896 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.41 -56.66 11.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 4.53 110.85 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.3 mp -90.34 -44.34 9.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 5.45 110.913 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.448 ' HB3' ' HA3' ' A' ' 81' ' ' GLY . 0.0 OUTLIER -70.23 0.23 6.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 3.52 110.891 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -41.54 -25.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 5.41 111.096 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 107' ' ' LEU . 85.7 t80 -48.62 -26.57 2.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 5.42 110.91 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 110' ' ' THR . 7.6 t -157.22 67.39 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 4.43 111.147 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -50.29 178.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 4.44 110.902 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -60.13 -12.41 8.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 5.5 110.874 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -37.98 -57.02 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 5.01 110.909 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 117' ' ' GLU . . . -79.67 -54.41 5.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 4.32 111.101 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.445 ' CG ' ' HB3' ' A' ' 80' ' ' PRO . 42.9 m-85 -51.74 -61.5 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.54 110.865 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -57.67 -36.12 71.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 5.4 110.905 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 114' ' ' ALA . 2.0 mm-40 -44.94 -62.09 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 3.41 110.904 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.53 -49.74 10.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.53 110.852 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -53.55 -60.41 3.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.51 110.886 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.733 HG23 ' CG2' ' A' ' 26' ' ' ILE . 6.8 m -56.11 -45.82 79.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.41 111.159 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -48.88 -45.43 41.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.44 110.884 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -78.87 -57.42 3.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.52 110.911 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -50.82 -56.63 11.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.53 110.833 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.631 ' HB1' ' CG ' ' A' ' 129' ' ' ARG . . . -57.44 -64.01 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.51 111.107 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.418 ' HA ' ' HB2' ' A' ' 129' ' ' ARG . 6.9 tt0 -49.89 -24.4 2.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.53 110.894 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -78.31 -49.27 13.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.54 110.912 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -68.09 -14.63 63.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.52 110.9 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 112.51 40.68 1.1 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 0.44 112.511 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.631 ' CG ' ' HB1' ' A' ' 124' ' ' ALA . 1.7 tmt_? -39.23 -61.85 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.786 0.326 . . . . 4.05 110.85 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.793 -0.717 . . . . 0.45 112.53 -179.943 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.847 0.356 . . . . 0.34 111.173 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -147.4 78.31 1.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.55 110.934 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.61 -51.05 70.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.45 111.073 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.779 ' HA ' HD12 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -50.22 -46.93 55.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 2.31 110.945 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.626 ' CE1' HD11 ' A' ' 64' ' ' ILE . 11.4 t80 -51.39 -48.11 62.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.53 110.825 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -64.68 -36.77 85.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.44 110.856 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.779 HD12 ' HA ' ' A' ' 14' ' ' GLU . 61.7 mt -61.46 -56.5 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.52 111.125 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.2 m -59.15 -40.36 80.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.45 111.16 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.1 mm -56.24 -55.35 19.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.53 111.147 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.99 -51.46 58.16 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.74 -0.743 . . . . 0.42 112.531 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.737 ' O ' HG23 ' A' ' 25' ' ' ILE . 60.7 m-20 -60.22 -30.35 69.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.785 0.326 . . . . 0.34 110.889 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.642 HD12 ' HD1' ' A' ' 87' ' ' PHE . 2.2 mm -64.68 -41.34 91.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.53 111.142 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.95 ' O ' HD12 ' A' ' 26' ' ' ILE . 11.2 mt-10 -70.2 -23.01 62.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.44 110.909 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.404 ' O ' HD13 ' A' ' 26' ' ' ILE . 5.0 t0 -91.24 -37.37 13.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 5.24 110.9 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.937 HD13 ' HB3' ' A' ' 86' ' ' ALA . 2.7 pp -66.77 -18.53 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.52 111.112 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.95 HD12 ' O ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -44.8 -18.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.54 111.147 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.533 ' N ' HD13 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -88.19 -32.91 18.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 4.51 110.843 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 25' ' ' ILE . 1.4 mt-10 -142.45 140.53 31.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.232 -0.44 . . . . 4.54 110.829 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 1.009 ' HA ' ' HB2' ' A' ' 86' ' ' ALA . 2.1 t70 -76.61 -56.85 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.43 110.898 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -44.98 -36.88 3.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 4.32 110.949 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.461 ' HB3' HG22 ' A' ' 25' ' ' ILE . 2.3 m-85 -50.37 -50.38 51.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 4.41 110.886 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.808 ' HB3' ' HB1' ' A' ' 86' ' ' ALA . 3.3 tp-100 -68.18 -37.26 80.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.44 110.951 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -50.48 -46.31 56.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 5.41 110.866 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.92 -55.43 7.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 4.45 110.904 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -53.08 -57.0 11.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.5 110.926 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -36.96 72.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 3.21 110.905 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.16 -42.4 90.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 5.32 110.851 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -66.2 -54.36 26.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 5.31 110.885 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.652 ' SD ' HG21 ' A' ' 17' ' ' ILE . 1.7 mpp? -61.34 -36.45 80.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 4.43 110.888 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -62.14 -49.29 76.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 4.32 110.839 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -61.06 -54.25 47.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.492 . . . . 5.34 110.895 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -58.27 -48.9 78.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 5.41 110.942 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -60.25 -57.42 12.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.151 -0.477 . . . . 5.54 110.915 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.56 -23.49 58.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 5.55 110.993 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -93.35 14.66 17.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 5.41 110.877 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -152.43 -78.81 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 5.01 110.888 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.77 -176.18 3.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.498 . . . . 4.43 110.884 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -143.61 -167.11 2.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 5.21 110.875 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.74 -161.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 3.33 110.884 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.522 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -73.84 62.33 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.53 110.924 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -135.34 61.72 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 5.54 110.879 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -172.78 34.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 4.33 110.93 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -165.09 155.2 13.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.54 110.89 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.4 mp -85.32 -61.71 1.7 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.44 110.923 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.8 p -95.45 -28.08 15.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.42 110.873 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.92 -37.8 72.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.53 110.921 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.533 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 1.2 m -52.04 -57.85 13.51 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.573 0.701 . . . . 0.33 111.14 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 57' ' ' THR . 54.4 Cg_endo -69.76 -52.27 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.629 2.219 . . . . 0.52 112.364 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.2 mm -52.78 -38.71 28.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.44 111.183 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -71.99 -51.7 20.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.42 110.865 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -56.71 -53.29 59.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.43 110.861 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -56.38 -57.37 12.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.41 110.927 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -50.98 -65.38 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.55 110.986 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.626 HD11 ' CE1' ' A' ' 15' ' ' PHE . 44.1 mm -50.35 -42.11 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.44 111.129 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -61.24 -45.29 95.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.35 110.829 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.5 mt -57.79 -57.84 8.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.33 111.097 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.35 -24.14 67.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.143 -0.481 . . . . 0.44 110.892 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.531 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -68.09 -56.3 9.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.5 110.85 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -49.12 74.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.55 110.836 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -55.95 -53.04 61.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.4 110.913 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.727 HD21 ' HB2' ' A' ' 87' ' ' PHE . 9.7 tt -67.5 -31.95 72.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.44 110.924 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -57.22 -53.05 62.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.44 110.864 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.532 ' HA ' HG12 ' A' ' 76' ' ' VAL . 6.3 tt0 -74.3 -31.2 62.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.44 110.973 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.69 -43.25 84.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.52 110.933 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.543 HD12 ' HB2' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -76.86 -50.28 13.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.53 110.921 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.532 HG12 ' HA ' ' A' ' 73' ' ' GLN . 2.3 p -54.2 -34.41 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.53 111.08 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.55 2.2 56.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.52 110.906 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 79' ' ' ILE . 0.3 OUTLIER -82.09 -50.76 8.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.45 110.9 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 78' ' ' ARG . 1.2 tt 36.47 63.42 2.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.61 0.719 . . . . 0.54 111.096 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.404 ' HD3' ' HB3' ' A' ' 78' ' ' ARG . 53.9 Cg_endo -69.7 -49.09 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.257 . . . . 2.32 112.371 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.591 ' O ' ' HA2' ' A' ' 100' ' ' GLY . . . 123.58 -69.56 0.46 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.768 -0.73 . . . . 5.42 112.597 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.768 ' O ' ' N ' ' A' ' 84' ' ' MET . 65.8 t80 -67.17 155.6 38.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.809 0.338 . . . . 4.11 110.916 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -43.99 74.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 5.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.768 ' N ' ' O ' ' A' ' 82' ' ' PHE . 4.6 tpt -145.28 83.2 1.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.55 110.853 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.815 ' O ' HG22 ' A' ' 88' ' ' THR . 1.5 p30 171.56 47.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.54 110.876 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 1.009 ' HB2' ' HA ' ' A' ' 29' ' ' ASP . . . -77.71 -26.25 49.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.44 111.11 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.727 ' HB2' HD21 ' A' ' 71' ' ' LEU . 6.5 m-85 -53.31 -40.54 64.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.42 110.906 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.815 HG22 ' O ' ' A' ' 85' ' ' ASP . 10.1 t -62.69 -32.69 73.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.51 111.109 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -64.95 -60.07 3.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.42 110.885 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.63 -13.62 61.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.54 110.815 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.573 HD23 ' N ' ' A' ' 92' ' ' LYS . 0.6 OUTLIER -75.25 -63.7 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.44 110.933 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.573 ' N ' HD23 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -87.96 -86.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.43 110.823 179.836 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -135.1 -74.4 0.46 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.291 -0.413 . . . . 4.4 110.935 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -161.21 113.65 1.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 4.42 110.858 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.61 ' HE2' HG21 ' A' ' 88' ' ' THR . 0.0 OUTLIER -87.35 3.64 46.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.42 110.907 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -47.94 -37.74 15.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 4.23 110.826 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -48.29 -32.33 7.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 3.32 110.906 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 98' ' ' VAL . 15.5 m -153.06 93.23 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.482 . . . . 0.54 111.101 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.3 t -117.04 -166.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.52 110.804 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.591 ' HA2' ' O ' ' A' ' 81' ' ' GLY . . . -42.42 -29.79 0.75 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.77 -0.729 . . . . 3.23 112.452 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -47.7 -66.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 5.34 110.916 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 103' ' ' LEU . 9.7 tt -78.37 -39.48 24.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 4.02 111.158 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.433 ' HB3' ' HA2' ' A' ' 81' ' ' GLY . 0.6 OUTLIER -54.89 -59.16 5.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 3.33 110.907 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 81' ' ' GLY . 0.0 OUTLIER -58.19 -32.04 67.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 5.44 110.876 179.834 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.7 ttt -50.99 -57.38 8.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 3.51 110.926 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.2 mt -90.52 -45.06 9.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 4.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 103' ' ' LEU . 0.1 OUTLIER -68.34 -1.34 6.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 5.31 110.887 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -41.57 -26.62 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 5.3 111.15 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 107' ' ' LEU . 74.2 t80 -50.15 -25.83 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 5.21 110.939 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.6 t -158.51 67.43 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 5.55 111.048 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.45 ' HB2' ' HB2' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -49.67 178.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 4.34 110.905 179.852 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.518 ' CD1' ' HB3' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -56.45 -12.74 1.84 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.242 -0.436 . . . . 5.41 110.895 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.414 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 0.7 OUTLIER -37.31 -57.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 4.42 110.886 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' A' ' 117' ' ' GLU . . . -80.28 -52.84 7.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 5.12 111.083 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -52.93 -61.53 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 2.32 110.89 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -57.24 -39.32 75.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 5.41 110.901 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.493 ' HB3' ' O ' ' A' ' 114' ' ' ALA . 4.0 tt0 -44.88 -60.85 1.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 5.12 110.924 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -80.62 -50.2 10.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.126 -0.488 . . . . 1.51 110.865 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -54.02 -61.21 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.43 110.923 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.436 ' CB ' ' O ' ' A' ' 116' ' ' LYS . 4.2 m -56.22 -45.46 79.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.44 111.154 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -50.77 -42.5 57.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.51 110.8 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -79.08 -57.16 3.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.45 110.94 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -50.93 -48.49 60.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.43 110.913 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.628 ' HB1' ' CG ' ' A' ' 129' ' ' ARG . . . -65.97 -64.91 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.45 111.025 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.408 ' HA ' ' HB2' ' A' ' 129' ' ' ARG . 30.0 tt0 -49.72 -24.8 2.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.51 110.877 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.72 -49.6 61.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.32 110.855 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.47 -14.24 61.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.43 110.835 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 112.45 40.74 1.1 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.753 -0.737 . . . . 0.24 112.479 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.628 ' CG ' ' HB1' ' A' ' 124' ' ' ALA . 0.1 OUTLIER -37.05 -55.35 0.94 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.885 0.374 . . . . 4.32 110.853 -179.875 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.43 112.524 -179.936 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.805 0.336 . . . . 0.32 111.061 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.6 t70 63.87 95.73 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.53 110.838 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.42 -30.58 64.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.52 111.064 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.82 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.1 tt0 -48.86 -59.32 3.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.54 110.943 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.417 ' CE1' HD11 ' A' ' 64' ' ' ILE . 11.8 t80 -52.94 -38.39 61.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.4 110.899 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -68.41 -38.12 80.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.52 110.891 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.82 HD12 ' HA ' ' A' ' 14' ' ' GLU . 10.9 mt -63.39 -57.81 10.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.55 111.138 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 14' ' ' GLU . 1.7 m -61.31 -37.11 76.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.51 111.107 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.0 mm -58.32 -55.46 22.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.45 111.166 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.31 -46.46 93.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.42 112.522 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.457 ' O ' HG22 ' A' ' 25' ' ' ILE . 84.3 m-20 -66.1 -24.69 66.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.34 110.847 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.737 HD13 ' HB1' ' A' ' 86' ' ' ALA . 1.1 mm -72.22 -42.87 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.44 111.158 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.969 ' O ' HD12 ' A' ' 26' ' ' ILE . 4.6 pt-20 -70.5 -24.56 62.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.55 110.883 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.57 ' O ' HD13 ' A' ' 26' ' ' ILE . 12.7 m-20 -92.04 -41.35 10.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 3.52 110.875 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.557 HG22 ' HA ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -53.65 -27.46 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.51 111.099 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.969 HD12 ' O ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -47.27 -18.89 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 4.31 111.133 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.657 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.6 mmm -91.32 -32.08 15.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 5.42 110.932 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.483 ' O ' HG12 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -163.36 128.47 3.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 4.21 110.879 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.592 ' OD2' HG21 ' A' ' 88' ' ' THR . 13.8 m-20 -67.79 -30.62 70.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.5 110.849 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -45.23 -46.65 12.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 4.43 110.877 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -55.9 -34.79 65.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 5.41 110.795 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.516 ' HG3' ' HA ' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -63.14 -41.82 99.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.5 110.902 -179.854 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -55.22 -46.84 75.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 5.52 110.849 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.57 -55.98 12.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 3.41 110.854 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -54.39 -55.45 28.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 1.13 110.933 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -48.98 -54.33 16.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 5.51 110.886 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.2 t -54.07 -33.13 56.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 4.52 110.914 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -60.71 -54.35 46.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.507 . . . . 4.32 110.915 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.634 ' SD ' HG21 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -71.14 -38.66 72.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 4.21 110.881 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.74 -50.98 62.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 5.11 110.938 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -71.96 -45.84 59.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 5.23 110.87 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -53.42 -42.83 67.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.279 -0.419 . . . . 4.11 110.928 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -73.75 -50.57 20.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.089 -0.505 . . . . 4.43 110.98 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -56.02 -23.92 36.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 4.41 110.893 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -59.51 -40.56 87.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 4.41 110.892 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -179.73 -34.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.074 -0.512 . . . . 5.4 110.899 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.14 151.91 4.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 3.34 110.891 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -114.38 174.8 5.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 4.21 110.81 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.6 m -121.42 -163.12 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.15 110.817 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.503 ' O ' HG23 ' A' ' 57' ' ' THR . 0.4 OUTLIER 68.19 22.21 8.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 0.52 110.876 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 51.63 -169.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.54 110.876 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -140.2 38.0 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.52 110.915 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.05 179.22 4.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.44 110.919 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.6 mt -84.7 -60.92 1.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.42 110.942 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.34 -25.39 16.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.22 110.87 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.568 ' HA ' HG22 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -72.6 -34.9 67.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.51 110.954 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.583 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 1.2 m -57.71 -55.55 43.62 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.546 0.688 . . . . 0.5 111.127 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 57' ' ' THR . 53.0 Cg_endo -69.75 -52.64 0.31 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.62 2.214 . . . . 0.44 112.337 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.568 HG22 ' HA ' ' A' ' 56' ' ' TYR . 8.6 tt -53.63 -34.28 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.35 111.101 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -73.65 -53.28 10.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.44 110.881 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -58.54 -52.25 66.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.55 110.971 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -55.92 -50.47 70.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.52 110.915 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.581 ' HA ' HD12 ' A' ' 66' ' ' ILE . 2.5 m-85 -51.57 -55.98 16.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.55 110.872 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.417 HD11 ' CE1' ' A' ' 15' ' ' PHE . 49.4 mm -61.6 -36.96 76.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.5 111.094 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.04 -36.35 81.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.5 110.919 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 63' ' ' TYR . 8.8 mt -65.79 -55.27 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.51 111.088 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.508 HD23 ' C ' ' A' ' 67' ' ' LEU . 5.9 tt -61.9 -48.89 78.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.52 110.954 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -58.84 -36.81 75.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.43 110.872 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -63.66 -61.59 2.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 0.55 110.935 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -52.48 61.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.53 110.906 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.517 HD21 ' O ' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -52.26 -66.95 0.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.53 110.962 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -45.29 -44.94 11.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.54 110.9 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -53.68 -47.1 70.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.54 110.885 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -72.44 -42.91 64.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.53 110.92 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.844 HD21 ' HB2' ' A' ' 87' ' ' PHE . 3.5 mm? -49.91 -48.25 51.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.31 110.925 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.5 p -80.09 -30.26 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.45 111.105 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -71.98 -10.47 59.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.45 110.898 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -128.37 -70.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.55 110.901 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.572 ' CG2' HD13 ' A' ' 103' ' ' LEU . 20.5 mt 65.97 71.27 0.5 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.736 . . . . 0.44 111.129 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.541 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 54.0 Cg_endo -69.72 -23.77 30.58 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.668 2.245 . . . . 5.24 112.36 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.434 ' HA2' ' HB2' ' A' ' 103' ' ' LEU . . . 90.22 -65.58 2.83 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 2.4 112.527 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.435 ' HB2' ' HB3' ' A' ' 111' ' ' ASP . 1.9 t80 -61.08 136.1 57.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 4.41 110.843 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.53 72.25 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 4.43 110.883 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.483 ' HE2' ' HA ' ' A' ' 113' ' ' MET . 28.0 mmm -74.91 -12.49 60.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 5.14 110.818 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.567 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 1.7 p-10 -170.01 -177.38 2.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.53 110.847 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.737 ' HB1' HD13 ' A' ' 22' ' ' ILE . . . -79.63 -8.02 58.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.54 111.154 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.844 ' HB2' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -45.1 -29.56 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.45 110.907 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.592 HG21 ' OD2' ' A' ' 29' ' ' ASP . 55.4 m -75.92 -39.63 55.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.53 111.146 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.516 ' HA ' ' HG3' ' A' ' 32' ' ' GLN . 2.3 t-80 -47.67 -56.52 7.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.51 110.845 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.97 -36.37 81.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.44 110.832 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.766 HD21 ' HD3' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -68.76 -20.91 64.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.45 110.893 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.411 ' HG3' ' CD ' ' A' ' 32' ' ' GLN . 0.2 OUTLIER -49.48 -15.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 5.12 110.873 179.818 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.411 ' N ' ' C ' ' A' ' 91' ' ' LEU . 1.8 mm100 -45.05 -26.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.53 110.948 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -144.51 -29.73 0.47 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.198 -0.455 . . . . 1.4 110.873 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.766 ' HD3' HD21 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -72.12 -1.53 15.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.44 110.929 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -51.29 -40.15 58.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 4.52 110.826 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.97 -28.74 69.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 4.44 110.884 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.68 HG23 ' CG2' ' A' ' 102' ' ' ILE . 2.7 p -133.42 105.61 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.4 111.145 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.9 t -107.54 -175.12 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.45 110.83 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 104' ' ' ASP . . . -47.04 -25.58 2.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.767 -0.73 . . . . 4.24 112.536 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -39.66 -67.35 0.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 5.52 110.81 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.68 ' CG2' HG23 ' A' ' 98' ' ' VAL . 0.6 OUTLIER -84.91 -39.78 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 4.35 111.176 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.572 HD13 ' CG2' ' A' ' 79' ' ' ILE . 86.7 mt -59.19 -59.62 5.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 4.14 110.92 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -59.72 -35.09 73.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 5.1 110.914 179.807 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.74 -46.04 70.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 4.42 110.841 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 35.2 mt -87.85 -51.47 5.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.437 . . . . 3.43 110.869 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.415 ' C ' ' N ' ' A' ' 109' ' ' PHE . 4.4 mm? -64.0 -7.1 7.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 4.53 110.914 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -47.41 -17.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 4.52 111.126 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.415 ' N ' ' C ' ' A' ' 107' ' ' LEU . 54.8 t80 -53.23 -27.12 20.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 5.41 110.873 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 110' ' ' THR . 8.5 t 177.42 81.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 5.2 111.103 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.435 ' HB3' ' HB2' ' A' ' 82' ' ' PHE . 8.7 p30 -52.53 172.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 4.11 110.889 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.541 ' HB2' ' CB ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -70.82 0.74 6.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.54 110.877 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.483 ' HA ' ' HE2' ' A' ' 84' ' ' MET . 50.6 ttp -38.93 -29.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 5.04 110.872 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 112' ' ' PHE . . . -62.51 -71.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 5.03 111.04 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -68.71 -28.65 67.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.53 110.892 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 120' ' ' THR . 0.8 OUTLIER -72.96 -32.94 65.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.51 110.943 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -47.32 -53.69 12.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.138 -0.483 . . . . 4.11 110.9 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -51.63 9.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.43 110.853 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -56.12 -57.99 9.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.998 0.428 . . . . 0.53 110.891 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 116' ' ' LYS . 35.1 m -52.58 -47.45 66.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.52 111.135 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -45.71 -40.9 9.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.54 110.84 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -76.41 -57.38 3.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.42 110.897 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.463 ' CZ ' HD11 ' A' ' 67' ' ' LEU . 8.2 mtp180 -54.27 -57.96 9.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.44 110.845 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.501 ' HB1' ' HG2' ' A' ' 129' ' ' ARG . . . -52.68 -63.45 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.42 111.169 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.401 ' HA ' ' HG3' ' A' ' 129' ' ' ARG . 0.2 OUTLIER -53.37 -24.49 12.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.55 110.874 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.58 -50.46 13.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.54 110.884 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -69.19 -13.65 62.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.53 110.959 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 95.52 39.85 4.33 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.712 -0.756 . . . . 0.34 112.428 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.501 ' HG2' ' HB1' ' A' ' 124' ' ' ALA . 0.1 OUTLIER -49.55 -26.07 3.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 4.12 110.864 -179.835 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 5.35 112.491 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.747 0.308 . . . . 0.54 111.069 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.84 84.12 1.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.51 110.879 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.16 -32.0 66.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.31 111.088 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -47.74 -56.49 7.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.41 110.901 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -50.89 -46.5 60.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.53 110.864 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.51 -37.61 87.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.51 110.912 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.404 HG21 ' SD ' ' A' ' 39' ' ' MET . 25.3 mm -60.97 -55.94 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.44 111.136 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.1 m -61.07 -38.65 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.51 111.115 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.3 mm -56.65 -56.52 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.44 111.12 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.95 -49.79 74.56 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.772 -0.728 . . . . 0.4 112.579 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.701 ' O ' HG23 ' A' ' 25' ' ' ILE . 20.3 m120 -63.22 -27.49 69.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 0.52 110.876 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.584 ' O ' HG13 ' A' ' 25' ' ' ILE . 1.6 mm -65.0 -43.82 96.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.54 111.134 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -68.31 -28.81 67.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.54 110.878 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.38 -49.44 9.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 5.43 110.858 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.091 HD13 ' HB3' ' A' ' 86' ' ' ALA . 2.9 pp -50.87 -24.96 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.51 111.151 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.622 ' N ' HD12 ' A' ' 25' ' ' ILE . 8.4 mt -48.54 -18.24 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.54 111.079 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.8 mtt -85.27 -32.11 22.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 5.31 110.868 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -149.35 140.94 23.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 5.53 110.838 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.774 ' HA ' ' HB2' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -79.11 -54.66 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.32 110.827 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.23 -50.66 8.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 5.34 110.829 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -49.03 -36.01 16.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 4.35 110.847 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.736 ' NE2' ' HB1' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -68.03 -38.65 82.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.51 110.929 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -55.1 -43.62 74.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 5.2 110.86 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 mp -70.15 -56.75 6.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.246 -0.434 . . . . 74.54 110.951 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -56.67 -55.91 28.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.45 110.89 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 -51.02 -52.98 37.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 5.23 110.914 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.4 t -51.75 -38.27 54.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 5.44 110.874 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -62.52 -54.05 45.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 4.33 110.891 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.404 ' SD ' HG21 ' A' ' 17' ' ' ILE . 10.1 tpt -66.46 -30.99 71.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 5.14 110.895 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -62.11 -55.68 26.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 5.31 110.887 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -45.03 89.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 5.51 110.871 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -58.92 -41.36 87.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 5.33 110.919 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -74.0 -52.24 13.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 5.35 110.931 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -54.77 -30.1 55.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.509 . . . . 5.34 110.911 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.34 -17.27 58.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 5.4 110.876 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -119.28 -77.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 4.22 110.919 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -142.68 -172.8 3.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 5.32 110.895 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -122.46 -169.82 1.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 5.35 110.862 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.2 m -80.18 -163.43 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.44 110.858 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 65.06 19.86 11.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.12 -0.491 . . . . 0.45 110.917 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -142.58 136.02 28.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 4.21 110.901 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -174.38 -75.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.53 110.847 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.33 -165.31 2.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.51 110.859 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.33 -50.38 11.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.227 -0.442 . . . . 0.52 110.929 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 p -93.26 -27.27 16.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.42 110.849 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -71.37 -39.03 71.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.54 110.915 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.534 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 1.1 m -51.3 -57.56 13.68 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.587 0.708 . . . . 0.45 111.151 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 57' ' ' THR . 53.6 Cg_endo -69.78 -52.72 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.734 2.29 . . . . 0.45 112.288 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.1 mt -52.53 -39.22 28.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.55 111.174 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -71.57 -52.13 19.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.44 110.848 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -53.85 -53.84 46.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.41 110.896 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -57.08 -55.85 29.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.54 110.887 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.429 ' HA ' HD12 ' A' ' 66' ' ' ILE . 3.3 m-85 -51.23 -51.47 53.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.43 110.814 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.1 mm -62.65 -33.55 60.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.34 111.108 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -37.92 85.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.53 110.847 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 63' ' ' TYR . 5.6 mt -70.28 -52.46 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.55 111.111 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.527 HD23 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -57.88 -46.89 84.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.45 110.928 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.527 ' N ' HD23 ' A' ' 67' ' ' LEU . 15.6 pt-20 -67.44 -33.19 74.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.45 110.886 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.06 -55.75 30.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.54 110.851 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -63.77 -52.31 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.52 110.82 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.679 HD13 ' CZ ' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -54.35 -40.96 68.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.446 . . . . 0.53 110.904 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.594 ' CB ' HD21 ' A' ' 91' ' ' LEU . 20.9 tt0 -64.95 -46.53 81.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.43 110.86 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -58.66 -33.98 70.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.42 110.907 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -80.5 -50.08 10.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.45 110.902 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.768 HD13 ' HB ' ' A' ' 88' ' ' THR . 1.3 mt -63.65 -26.36 68.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.43 110.919 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.5 p -87.11 -35.32 8.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.41 111.107 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -88.83 2.63 53.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.52 110.833 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -96.12 -47.09 6.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.54 110.901 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 78' ' ' ARG . 0.8 OUTLIER 34.78 62.13 2.15 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.678 0.752 . . . . 0.44 111.103 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.56 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 53.8 Cg_endo -69.79 -34.06 15.25 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.73 2.287 . . . . 0.45 112.334 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.459 ' CA ' ' HB3' ' A' ' 103' ' ' LEU . . . 89.43 -24.16 15.54 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.775 -0.726 . . . . 4.32 112.522 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.774 ' CZ ' HG23 ' A' ' 110' ' ' THR . 0.0 OUTLIER -94.42 153.86 17.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 5.3 110.827 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -46.1 73.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.492 . . . . 5.13 110.882 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.758 ' N ' ' O ' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -83.28 -169.43 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.45 110.844 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -50.37 121.29 5.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.52 110.82 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 1.091 ' HB3' HD13 ' A' ' 25' ' ' ILE . . . -68.6 -8.55 42.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.22 111.094 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.679 ' CZ ' HD13 ' A' ' 71' ' ' LEU . 59.1 t80 -46.16 -29.02 1.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.45 110.926 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.768 ' HB ' HD13 ' A' ' 75' ' ' LEU . 2.9 t -58.13 -46.29 85.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.44 111.223 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.454 ' CB ' ' NE2' ' A' ' 32' ' ' GLN . 20.4 t-80 -59.93 -56.61 19.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.54 110.851 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.433 ' HB3' HD11 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -71.12 -10.95 60.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.5 110.888 -179.832 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.594 HD21 ' CB ' ' A' ' 72' ' ' GLU . 3.9 tp -75.52 -61.55 1.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.54 110.875 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -84.82 -87.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.5 110.899 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -135.56 -77.14 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 5.14 110.927 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -164.22 89.61 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 5.45 110.862 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.49 6.45 10.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.256 -0.429 . . . . 0.54 110.92 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -45.98 -44.25 14.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 3.41 110.915 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 98' ' ' VAL . 3.7 mt-10 -45.73 -30.48 1.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 5.42 110.875 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.517 ' O ' HG12 ' A' ' 98' ' ' VAL . 13.9 t -154.99 95.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 0.45 111.117 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.6 t -115.44 -177.84 3.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.43 110.817 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 104' ' ' ASP . . . -50.86 -18.42 2.77 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.717 -0.754 . . . . 4.14 112.426 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.86 -63.25 1.02 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.791 0.329 . . . . 4.41 110.901 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.64 HG23 ' H ' ' A' ' 103' ' ' LEU . 2.4 tt -63.73 -58.83 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 4.53 111.15 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.64 ' H ' HG23 ' A' ' 102' ' ' ILE . 4.3 mm? -52.96 -28.1 22.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 4.22 110.897 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' A' ' 100' ' ' GLY . 6.2 t70 -65.51 -41.81 92.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 4.44 110.909 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -37.75 67.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 5.1 110.85 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -88.79 -56.47 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 5.04 110.945 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 109' ' ' PHE . 0.2 OUTLIER -73.27 5.0 3.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 5.42 110.927 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.4 OUTLIER -40.63 -21.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 4.43 111.137 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 107' ' ' LEU . 19.1 t80 -43.84 -29.57 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 5.44 110.909 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.774 HG23 ' CZ ' ' A' ' 82' ' ' PHE . 1.1 t -151.86 77.44 1.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 3.42 111.142 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.546 ' O ' ' O ' ' A' ' 110' ' ' THR . 13.7 p-10 -43.42 178.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 5.03 110.877 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.522 ' N ' ' HB2' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -56.07 -9.95 0.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 5.32 110.853 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.12 -38.52 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 4.4 110.814 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.439 ' O ' ' HB3' ' A' ' 117' ' ' GLU . . . -79.55 -57.24 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 5.32 111.179 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.403 ' O ' ' HB2' ' A' ' 119' ' ' PHE . 22.8 t80 -57.39 -57.27 13.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.53 110.926 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 120' ' ' THR . 0.0 OUTLIER -56.72 -40.15 75.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 4.42 110.888 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.439 ' HB3' ' O ' ' A' ' 114' ' ' ALA . 5.8 tp10 -45.44 -59.07 2.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 5.02 110.854 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.82 -53.5 6.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.34 110.874 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.652 ' CZ ' HD23 ' A' ' 71' ' ' LEU . 1.4 t80 -53.22 -61.7 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.55 110.898 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.568 HG23 HG21 ' A' ' 26' ' ' ILE . 3.9 m -55.31 -44.24 75.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.44 111.08 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -48.06 -48.51 33.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.44 110.916 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.07 -56.35 4.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.44 110.905 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.536 ' HD2' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -50.33 -54.52 20.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.51 110.874 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.647 ' HB1' ' CG ' ' A' ' 129' ' ' ARG . . . -61.11 -64.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.55 111.102 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -48.26 -27.15 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.33 110.851 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.48 -49.49 66.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.187 -0.46 . . . . 0.44 110.898 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.22 -10.29 56.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.41 110.841 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.668 ' O ' ' C ' ' A' ' 129' ' ' ARG . . . 81.97 39.79 11.26 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.776 -0.725 . . . . 0.35 112.483 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.668 ' C ' ' O ' ' A' ' 128' ' ' GLY . 0.0 OUTLIER -6.26 -80.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.327 . . . . 0.52 110.911 -179.845 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.723 . . . . 0.42 112.497 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.755 0.312 . . . . 0.52 111.064 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -168.13 29.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.5 110.868 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.21 -48.13 45.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.53 111.127 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.36 -59.99 3.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.51 110.891 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -53.75 -39.06 65.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.51 110.903 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.1 -35.33 80.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.54 110.952 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.7 mm -63.07 -61.52 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.486 . . . . 0.55 111.122 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.727 HG13 ' HG2' ' A' ' 40' ' ' GLU . 1.1 m -59.55 -37.67 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.45 111.121 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.523 ' O ' HG22 ' A' ' 22' ' ' ILE . 4.4 mm -56.92 -58.89 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.5 111.123 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.86 -42.42 53.31 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.43 112.526 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.953 ' O ' HG23 ' A' ' 25' ' ' ILE . 3.2 m120 -58.42 -40.16 81.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.367 . . . . 0.5 110.912 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.667 HD12 ' HB3' ' A' ' 86' ' ' ALA . 2.5 tp -50.39 -40.11 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.55 111.142 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.907 ' O ' HD12 ' A' ' 26' ' ' ILE . 2.7 pt-20 -67.11 -26.39 66.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.52 110.821 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.539 ' O ' HD13 ' A' ' 26' ' ' ILE . 0.6 OUTLIER -92.1 -27.26 17.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.199 -0.455 . . . . 4.34 110.85 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.953 HG23 ' O ' ' A' ' 21' ' ' ASN . 1.2 pp -69.05 -20.19 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 1.01 111.152 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.907 HD12 ' O ' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -37.96 -28.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 3.13 111.155 179.876 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 25' ' ' ILE . 2.8 mtt -91.17 -36.13 14.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 5.43 110.865 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -174.68 114.96 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 4.41 110.831 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.637 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . 0.3 OUTLIER -87.64 -26.67 22.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 4.14 110.817 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -45.57 -55.78 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 5.3 110.885 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.405 ' O ' ' HB3' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -85.59 -56.79 3.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 72.53 110.863 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -48.23 -55.18 11.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 5.25 110.88 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.832 ' CG ' ' HB1' ' A' ' 86' ' ' ALA . 4.8 t60 -68.04 -38.79 82.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.54 110.863 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.434 ' CB ' ' O ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER -43.01 -55.97 3.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 23.21 110.872 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -77.02 -54.42 6.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 61.34 110.897 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -52.14 -63.57 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.54 110.891 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 33' ' ' HIS . 1.0 OUTLIER -54.5 -41.46 69.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.54 110.878 -179.792 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -49.66 -54.72 16.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 5.02 110.862 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 84.2 mtp -60.88 -51.44 69.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 4.52 110.888 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.727 ' HG2' HG13 ' A' ' 18' ' ' VAL . 5.1 tp10 -56.27 -34.38 66.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 4.24 110.929 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.413 ' HA ' ' HB2' ' A' ' 45' ' ' GLU . 13.6 mttt -67.93 -65.49 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 4.24 110.841 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -56.53 -16.78 6.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 4.31 110.908 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -78.51 -61.99 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 5.43 110.885 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.406 HD13 ' HB3' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -103.61 -48.14 4.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 2.42 110.942 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 41' ' ' LYS . 2.9 tm-20 -53.73 -23.42 11.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 4.32 110.877 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -65.81 -81.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 5.34 110.911 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -145.44 95.2 2.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 4.42 110.899 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.406 ' HB3' HD13 ' A' ' 44' ' ' LEU . 0.4 OUTLIER 179.38 -167.7 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 3.43 110.844 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.67 -170.37 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 3.34 110.844 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -48.08 -71.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.504 . . . . 0.43 110.887 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 47.77 86.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 3.25 110.894 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -148.89 -169.87 3.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.55 110.845 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -56.44 -179.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.45 110.927 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.02 -38.28 90.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.54 110.935 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.47 -29.19 15.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.54 110.892 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -71.79 -38.75 70.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.52 110.909 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.542 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 1.1 m -51.08 -57.6 13.28 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.59 0.71 . . . . 0.53 111.157 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 57' ' ' THR . 53.3 Cg_endo -69.81 -51.13 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.669 2.246 . . . . 0.55 112.281 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 22.8 mm -53.86 -35.28 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.53 111.134 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -74.06 -52.09 13.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.54 110.902 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.55 -48.1 80.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.43 110.813 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -62.14 -49.2 76.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.5 110.852 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.458 ' HA ' HD12 ' A' ' 66' ' ' ILE . 2.4 m-85 -52.65 -66.16 0.43 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.52 110.953 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.2 mm -50.78 -43.09 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.51 . . . . 0.43 111.127 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -62.14 -40.43 95.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.51 110.838 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 63' ' ' TYR . 11.6 mt -61.03 -57.27 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.43 111.17 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.6 HD21 ' CE1' ' A' ' 87' ' ' PHE . 2.1 tt -63.71 -36.46 83.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.44 110.912 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -56.47 -56.8 16.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.51 110.879 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -46.93 73.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.43 110.872 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -53.79 -53.32 53.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.264 -0.425 . . . . 0.5 110.861 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.567 HD13 ' CG ' ' A' ' 87' ' ' PHE . 19.6 mt -71.54 -29.0 64.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.51 110.887 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -56.34 -54.69 42.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.52 110.865 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.598 ' HA ' HG12 ' A' ' 76' ' ' VAL . 4.5 tp60 -75.62 -38.01 59.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.43 110.887 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.83 -46.6 88.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.33 110.906 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.667 HD23 ' N ' ' A' ' 88' ' ' THR . 0.5 OUTLIER -76.41 -60.02 2.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.51 110.815 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.598 HG12 ' HA ' ' A' ' 73' ' ' GLN . 2.4 p -48.01 -27.58 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.42 111.089 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.38 -37.53 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.53 110.898 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 79' ' ' ILE . 10.9 mmt-85 -128.12 -27.63 2.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.53 110.943 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.431 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.5 OUTLIER 36.37 55.01 2.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.629 0.728 . . . . 0.52 111.167 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.603 ' HG2' ' HE3' ' A' ' 84' ' ' MET . 53.7 Cg_endo -69.71 110.12 2.47 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.732 2.288 . . . . 0.33 112.352 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.536 ' HA3' ' HA ' ' A' ' 103' ' ' LEU . . . -29.97 -45.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.703 -0.76 . . . . 0.4 112.486 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.537 ' HB3' ' HB3' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -51.73 152.87 2.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 5.23 110.846 -179.865 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -65.12 74.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 5.22 110.924 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.603 ' HE3' ' HG2' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -88.6 -12.9 41.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.52 110.936 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.453 ' N ' ' SD ' ' A' ' 84' ' ' MET . 0.5 OUTLIER 167.35 113.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.55 110.886 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.832 ' HB1' ' CG ' ' A' ' 33' ' ' HIS . . . -56.36 -21.26 23.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.5 111.116 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.6 ' CE1' HD21 ' A' ' 67' ' ' LEU . 4.6 m-85 -55.89 -52.72 63.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.42 110.866 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.667 ' N ' HD23 ' A' ' 75' ' ' LEU . 1.5 t -57.9 -29.81 65.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.53 111.089 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.486 ' HB2' ' O ' ' A' ' 86' ' ' ALA . 0.3 OUTLIER -64.26 -62.36 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.53 110.903 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.0 t -74.42 -18.8 60.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.5 110.813 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.449 ' CB ' ' O ' ' A' ' 87' ' ' PHE . 5.9 tp -79.1 -58.33 3.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.45 110.912 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.81 -84.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.53 110.913 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -132.66 -78.01 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 5.41 110.927 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -159.32 23.59 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 5.4 110.777 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.0 -15.72 2.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.44 110.863 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.443 ' CA ' ' HB3' ' A' ' 89' ' ' HIS . 4.2 p30 -49.65 -27.24 4.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 3.11 110.916 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.414 ' O ' ' HB ' ' A' ' 98' ' ' VAL . 0.3 OUTLIER -55.34 -55.28 33.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 4.52 110.888 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.414 ' HB ' ' O ' ' A' ' 97' ' ' GLU . 9.8 p 178.82 140.93 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 45.21 111.121 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.548 ' OG ' HG23 ' A' ' 102' ' ' ILE . 2.0 t -107.65 86.83 2.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 5.4 110.894 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -94.45 -68.18 1.04 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 3.15 112.394 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -64.88 -48.62 73.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 33.12 110.845 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.548 HG23 ' OG ' ' A' ' 99' ' ' SER . 2.2 tp -59.96 -37.01 70.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 3.4 111.127 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.805 HD13 ' N ' ' A' ' 104' ' ' ASP . 0.2 OUTLIER -57.09 -58.11 9.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 4.12 110.867 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.805 ' N ' HD13 ' A' ' 103' ' ' LEU . 0.3 OUTLIER -70.58 -37.08 73.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 5.24 110.805 179.859 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.574 ' O ' HG22 ' A' ' 108' ' ' THR . 6.0 mtt -59.0 -46.68 87.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 5.03 110.837 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.457 ' HB2' ' H ' ' A' ' 81' ' ' GLY . 4.3 mm? -84.26 -48.85 9.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 5.25 110.869 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.635 HD13 ' C ' ' A' ' 107' ' ' LEU . 1.8 tm? -45.24 -35.17 3.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 5.52 110.925 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 105' ' ' MET . 11.8 t -43.5 -43.25 5.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 5.11 111.132 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.466 ' N ' HG23 ' A' ' 108' ' ' THR . 0.3 OUTLIER -130.91 -54.04 1.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 4.34 110.885 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.584 ' O ' HG22 ' A' ' 110' ' ' THR . 1.3 m -96.16 99.94 11.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 4.43 111.146 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.464 ' HB3' HD22 ' A' ' 107' ' ' LEU . 53.0 p-10 -109.57 156.58 19.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 5.51 110.892 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.537 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -57.24 -17.46 11.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 5.43 110.913 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 9.6 ttt -38.38 -50.02 1.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 5.13 110.892 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.436 ' O ' ' HB3' ' A' ' 117' ' ' GLU . . . -78.52 -55.0 5.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 1.22 111.081 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -63.63 1.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.42 110.904 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -50.13 -40.26 45.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 4.41 110.916 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.436 ' HB3' ' O ' ' A' ' 114' ' ' ALA . 7.7 tp10 -46.69 -59.87 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 4.4 110.856 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -79.73 -52.33 8.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.54 110.877 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -52.33 -61.53 2.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.45 110.89 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.452 ' CB ' ' O ' ' A' ' 116' ' ' LYS . 4.3 m -55.62 -44.99 77.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.54 111.107 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -51.78 -42.14 62.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.52 110.848 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -79.43 -57.05 3.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.45 110.906 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -45.05 56.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.53 110.909 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.603 ' HB1' ' CG ' ' A' ' 129' ' ' ARG . . . -69.4 -63.95 0.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.53 111.071 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.406 ' HA ' ' HB2' ' A' ' 129' ' ' ARG . 0.7 OUTLIER -48.8 -24.87 1.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.45 110.882 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.5 ttmm -67.79 -49.91 59.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.154 -0.475 . . . . 0.54 110.843 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -72.59 -14.22 61.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.34 110.881 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 112.3 40.59 1.13 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.667 -0.778 . . . . 0.5 112.489 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.603 ' CG ' ' HB1' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -38.36 -60.5 0.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.822 0.344 . . . . 3.34 110.863 -179.808 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 0.44 112.555 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.487 -0.245 . . . . 0.41 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -171.03 38.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.341 . . . . 0.54 110.846 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -136.45 172.85 12.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.41 110.853 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -174.5 109.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.54 110.871 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -178.92 165.72 1.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.51 110.807 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -120.23 148.34 43.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.54 110.845 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -179.35 -170.69 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.52 110.88 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.481 HD12 ' CE1' ' A' ' 56' ' ' TYR . 1.1 tt 63.3 161.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.43 110.91 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.31 -74.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.45 110.871 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -51.06 -33.11 24.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.52 110.865 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.545 ' HB1' ' OD1' ' A' ' 52' ' ' ASN . . . -65.74 -56.06 14.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.51 111.119 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -122.1 82.88 2.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.5 110.875 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.46 -50.17 73.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.42 111.076 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.437 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.0 pp20? -50.66 -40.97 54.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.51 110.928 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.426 ' CE1' HD11 ' A' ' 64' ' ' ILE . 26.4 t80 -57.88 -55.63 32.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.4 110.845 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -58.72 -33.6 70.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.44 110.871 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 14' ' ' GLU . 88.4 mt -62.59 -57.12 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.53 111.106 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.4 m -63.35 -34.69 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.54 111.17 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.6 mm -59.54 -56.24 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.55 111.115 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.98 -52.01 55.9 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.44 112.514 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.648 ' O ' HG23 ' A' ' 25' ' ' ILE . 63.9 m-80 -61.96 -27.35 68.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.54 110.888 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.584 ' O ' HG13 ' A' ' 25' ' ' ILE . 0.8 OUTLIER -64.91 -47.61 87.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.44 111.133 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.423 ' C ' HG12 ' A' ' 26' ' ' ILE . 0.7 OUTLIER -63.75 -29.33 70.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.54 110.927 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -82.52 -47.88 11.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 5.33 110.859 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.031 HD13 ' HB3' ' A' ' 86' ' ' ALA . 2.8 pp -58.47 -18.52 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.51 111.121 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.733 ' CG2' HG23 ' A' ' 120' ' ' THR . 50.1 mm -42.62 -27.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.53 111.111 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -95.34 -31.03 13.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 4.12 110.891 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 25' ' ' ILE . 13.6 mt-10 -132.4 126.25 32.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 5.32 110.875 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.967 ' HA ' ' HB2' ' A' ' 86' ' ' ALA . 2.6 m-20 -78.94 -47.11 17.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 3.13 110.892 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -47.01 -44.12 20.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 5.03 110.887 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.57 ' HB3' HG22 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -49.26 -41.75 38.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 5.43 110.901 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.688 ' HB2' HG21 ' A' ' 25' ' ' ILE . 1.5 tt0 -68.77 -41.33 78.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.54 110.892 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -50.24 -44.34 53.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 5.41 110.832 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.68 -57.73 3.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 71.22 110.897 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -54.71 -57.16 12.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 3.21 110.918 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -52.05 -51.59 56.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 4.41 110.904 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.0 t -51.28 -38.41 52.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 4.35 110.833 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -65.44 -53.61 40.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 5.51 110.888 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -35.92 80.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 5.02 110.878 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.426 ' O ' HD23 ' A' ' 44' ' ' LEU . 30.4 tt0 -61.37 -55.02 36.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 5.42 110.874 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -59.04 -46.74 87.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 3.21 110.913 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.05 -50.35 73.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 4.55 110.937 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -61.3 -55.44 31.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 5.55 110.945 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 40' ' ' GLU . 4.2 mm? -57.34 -29.4 63.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 5.51 110.925 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -91.98 14.31 16.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 5.45 110.873 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -135.65 -79.86 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 5.32 110.893 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -143.29 -172.55 3.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 5.42 110.84 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.45 -169.03 2.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 4.24 110.862 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.7 m -69.26 -164.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.52 110.875 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 63.82 21.86 12.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.45 110.874 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 57' ' ' THR . 0.1 OUTLIER -94.15 -163.33 1.03 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 3.15 110.924 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.545 ' OD1' ' HB1' ' A' ' 11' ' ' ALA . 3.4 m-80 70.88 -173.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.55 110.835 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -169.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.54 110.91 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.5 mp -81.45 -21.43 38.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.53 110.89 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.92 -36.51 14.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.54 110.851 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.481 ' CE1' HD12 ' A' ' 8' ' ' LEU . 18.3 m-85 -69.05 -33.57 73.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.54 110.904 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.491 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -51.15 -59.96 6.63 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.543 0.687 . . . . 0.54 111.157 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 57' ' ' THR . 53.5 Cg_endo -69.79 -51.15 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.54 112.315 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.8 mt -52.64 -40.19 33.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.44 111.137 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -71.67 -51.72 21.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.44 110.869 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -55.28 -51.0 68.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.44 110.924 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -57.6 -57.37 13.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.43 110.923 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.635 ' HA ' HD12 ' A' ' 66' ' ' ILE . 1.6 m-85 -50.78 -63.04 1.25 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.44 110.921 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.426 HD11 ' CE1' ' A' ' 15' ' ' PHE . 37.5 mm -52.19 -44.13 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.44 111.103 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -60.87 -36.74 79.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.54 110.924 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.635 HD12 ' HA ' ' A' ' 63' ' ' TYR . 12.0 mt -64.27 -57.1 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.33 111.14 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.576 ' HG ' HD12 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -63.94 -49.82 71.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.42 110.907 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -54.48 -42.09 70.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.5 110.892 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -54.96 31.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.53 110.941 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -58.48 -52.34 66.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.53 110.88 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.684 HD22 ' CG ' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -62.67 -30.76 71.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.45 110.932 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.521 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.5 tm-20 -61.61 -54.52 41.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.45 110.892 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -62.48 -38.66 90.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.44 110.885 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.89 -50.83 61.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.44 110.873 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.807 HD12 ' HB ' ' A' ' 88' ' ' THR . 3.5 mm? -62.67 -40.03 95.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.52 110.906 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 72' ' ' GLU . 25.6 t -60.99 -51.06 77.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.31 111.12 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -83.76 2.73 36.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.41 110.875 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.45 ' HB2' ' HA ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -68.0 -69.86 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.55 110.859 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.437 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 16.7 mt 39.21 54.88 5.36 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.65 0.738 . . . . 0.52 111.109 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.445 ' HB3' ' CG ' ' A' ' 115' ' ' PHE . 53.8 Cg_endo -69.78 -49.38 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.709 2.273 . . . . 1.42 112.357 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.595 ' O ' ' HA2' ' A' ' 100' ' ' GLY . . . 126.59 -70.83 0.49 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 2.12 112.478 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.749 ' O ' ' N ' ' A' ' 84' ' ' MET . 4.0 t80 -79.22 153.69 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.883 0.373 . . . . 4.52 110.854 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -41.42 77.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 4.33 110.904 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.749 ' N ' ' O ' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -78.39 -66.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.55 110.9 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.461 ' CG ' HD11 ' A' ' 75' ' ' LEU . 11.3 p30 -148.23 132.79 17.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.41 110.899 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 1.031 ' HB3' HD13 ' A' ' 25' ' ' ILE . . . -75.06 -9.7 58.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.43 111.096 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.684 ' CG ' HD22 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -45.38 -31.18 1.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.45 110.892 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.807 ' HB ' HD12 ' A' ' 75' ' ' LEU . 8.2 t -62.8 -43.67 98.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.42 111.146 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.444 ' N ' HG23 ' A' ' 88' ' ' THR . 31.8 t-80 -58.62 -54.78 43.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.52 110.845 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.9 t -75.29 -13.28 60.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.42 110.87 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.3 tp -71.19 -64.44 0.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.51 110.933 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -87.8 -85.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.53 110.863 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -133.12 -73.51 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 4.1 110.922 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -161.93 112.78 1.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 5.15 110.87 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.561 ' HE3' HG21 ' A' ' 88' ' ' THR . 0.0 OUTLIER -84.86 1.0 49.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.44 110.886 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -50.57 -40.55 52.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 4.42 110.883 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -53.29 -29.94 35.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 4.51 110.861 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 98' ' ' VAL . 15.9 m -153.37 97.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.51 111.131 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.2 t -116.23 -164.69 0.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 4.44 110.839 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.595 ' HA2' ' O ' ' A' ' 81' ' ' GLY . . . -39.97 -32.25 0.35 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.697 -0.763 . . . . 5.24 112.509 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.1 -67.35 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 5.02 110.85 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.55 HG23 HD22 ' A' ' 103' ' ' LEU . 1.1 tt -81.24 -41.58 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 4.45 111.171 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.55 HD22 HG23 ' A' ' 102' ' ' ILE . 3.9 mm? -52.28 -60.96 2.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 4.2 110.957 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.498 ' HB3' ' O ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -60.78 -30.41 70.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 5.54 110.896 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.41 -56.66 11.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 4.53 110.85 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.3 mp -90.34 -44.34 9.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 5.45 110.913 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.448 ' HB3' ' HA3' ' A' ' 81' ' ' GLY . 0.0 OUTLIER -70.23 0.23 6.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 3.52 110.891 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -41.54 -25.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 5.41 111.096 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 107' ' ' LEU . 85.7 t80 -48.62 -26.57 2.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 5.42 110.91 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 110' ' ' THR . 7.6 t -157.22 67.39 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 4.43 111.147 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -50.29 178.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 4.44 110.902 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -60.13 -12.41 8.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 5.5 110.874 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -37.98 -57.02 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 5.01 110.909 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 117' ' ' GLU . . . -79.67 -54.41 5.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 4.32 111.101 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.445 ' CG ' ' HB3' ' A' ' 80' ' ' PRO . 42.9 m-85 -51.74 -61.5 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.54 110.865 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -57.67 -36.12 71.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 5.4 110.905 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 114' ' ' ALA . 2.0 mm-40 -44.94 -62.09 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 3.41 110.904 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.53 -49.74 10.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.53 110.852 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -53.55 -60.41 3.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.51 110.886 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.733 HG23 ' CG2' ' A' ' 26' ' ' ILE . 6.8 m -56.11 -45.82 79.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.41 111.159 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -48.88 -45.43 41.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.44 110.884 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -78.87 -57.42 3.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.52 110.911 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -50.82 -56.63 11.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.53 110.833 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.631 ' HB1' ' CG ' ' A' ' 129' ' ' ARG . . . -57.44 -64.01 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.51 111.107 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.418 ' HA ' ' HB2' ' A' ' 129' ' ' ARG . 6.9 tt0 -49.89 -24.4 2.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.53 110.894 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -78.31 -49.27 13.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.54 110.912 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -68.09 -14.63 63.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.52 110.9 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 112.51 40.68 1.1 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 0.44 112.511 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.631 ' CG ' ' HB1' ' A' ' 124' ' ' ALA . 1.7 tmt_? -39.23 -61.85 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.786 0.326 . . . . 4.05 110.85 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.793 -0.717 . . . . 0.45 112.53 -179.943 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.488 -0.245 . . . . 0.32 112.488 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -165.21 70.87 0.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.813 0.34 . . . . 0.42 110.833 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -159.15 126.66 4.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.51 110.881 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -172.87 107.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.44 110.9 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -123.66 71.24 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.53 110.9 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.8 m-70 -152.28 -74.38 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.44 110.89 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 52.1 m170 -91.64 89.43 7.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.53 110.866 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -179.56 -33.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.55 110.902 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.86 60.66 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.54 110.939 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -144.1 15.92 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.55 110.904 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -135.41 -41.01 0.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.34 111.173 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -147.4 78.31 1.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.55 110.934 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.61 -51.05 70.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.45 111.073 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.779 ' HA ' HD12 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -50.22 -46.93 55.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 2.31 110.945 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.626 ' CE1' HD11 ' A' ' 64' ' ' ILE . 11.4 t80 -51.39 -48.11 62.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.53 110.825 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -64.68 -36.77 85.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.44 110.856 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.779 HD12 ' HA ' ' A' ' 14' ' ' GLU . 61.7 mt -61.46 -56.5 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.52 111.125 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.2 m -59.15 -40.36 80.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.45 111.16 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.1 mm -56.24 -55.35 19.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.53 111.147 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.99 -51.46 58.16 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.74 -0.743 . . . . 0.42 112.531 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.737 ' O ' HG23 ' A' ' 25' ' ' ILE . 60.7 m-20 -60.22 -30.35 69.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.785 0.326 . . . . 0.34 110.889 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.642 HD12 ' HD1' ' A' ' 87' ' ' PHE . 2.2 mm -64.68 -41.34 91.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.53 111.142 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.95 ' O ' HD12 ' A' ' 26' ' ' ILE . 11.2 mt-10 -70.2 -23.01 62.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.44 110.909 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.404 ' O ' HD13 ' A' ' 26' ' ' ILE . 5.0 t0 -91.24 -37.37 13.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 5.24 110.9 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.937 HD13 ' HB3' ' A' ' 86' ' ' ALA . 2.7 pp -66.77 -18.53 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.52 111.112 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.95 HD12 ' O ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -44.8 -18.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.54 111.147 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.533 ' N ' HD13 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -88.19 -32.91 18.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 4.51 110.843 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 25' ' ' ILE . 1.4 mt-10 -142.45 140.53 31.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.232 -0.44 . . . . 4.54 110.829 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 1.009 ' HA ' ' HB2' ' A' ' 86' ' ' ALA . 2.1 t70 -76.61 -56.85 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.43 110.898 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -44.98 -36.88 3.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 4.32 110.949 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.461 ' HB3' HG22 ' A' ' 25' ' ' ILE . 2.3 m-85 -50.37 -50.38 51.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 4.41 110.886 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.808 ' HB3' ' HB1' ' A' ' 86' ' ' ALA . 3.3 tp-100 -68.18 -37.26 80.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.44 110.951 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -50.48 -46.31 56.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 5.41 110.866 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.92 -55.43 7.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 4.45 110.904 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -53.08 -57.0 11.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.5 110.926 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -36.96 72.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 3.21 110.905 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.16 -42.4 90.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 5.32 110.851 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -66.2 -54.36 26.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 5.31 110.885 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.652 ' SD ' HG21 ' A' ' 17' ' ' ILE . 1.7 mpp? -61.34 -36.45 80.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 4.43 110.888 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -62.14 -49.29 76.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 4.32 110.839 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -61.06 -54.25 47.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.492 . . . . 5.34 110.895 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -58.27 -48.9 78.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 5.41 110.942 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -60.25 -57.42 12.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.151 -0.477 . . . . 5.54 110.915 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.56 -23.49 58.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 5.55 110.993 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -93.35 14.66 17.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 5.41 110.877 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -152.43 -78.81 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 5.01 110.888 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.77 -176.18 3.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.498 . . . . 4.43 110.884 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -143.61 -167.11 2.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 5.21 110.875 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.74 -161.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 3.33 110.884 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.522 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -73.84 62.33 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.53 110.924 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -135.34 61.72 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 5.54 110.879 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -172.78 34.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 4.33 110.93 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -165.09 155.2 13.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.54 110.89 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.4 mp -85.32 -61.71 1.7 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.44 110.923 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.8 p -95.45 -28.08 15.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.42 110.873 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.92 -37.8 72.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.53 110.921 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.533 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 1.2 m -52.04 -57.85 13.51 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.573 0.701 . . . . 0.33 111.14 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 57' ' ' THR . 54.4 Cg_endo -69.76 -52.27 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.629 2.219 . . . . 0.52 112.364 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.2 mm -52.78 -38.71 28.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.44 111.183 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -71.99 -51.7 20.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.42 110.865 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -56.71 -53.29 59.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.43 110.861 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -56.38 -57.37 12.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.41 110.927 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -50.98 -65.38 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.55 110.986 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.626 HD11 ' CE1' ' A' ' 15' ' ' PHE . 44.1 mm -50.35 -42.11 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.44 111.129 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -61.24 -45.29 95.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.35 110.829 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.5 mt -57.79 -57.84 8.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.33 111.097 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.35 -24.14 67.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.143 -0.481 . . . . 0.44 110.892 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.531 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -68.09 -56.3 9.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.5 110.85 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -49.12 74.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.55 110.836 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -55.95 -53.04 61.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.4 110.913 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.727 HD21 ' HB2' ' A' ' 87' ' ' PHE . 9.7 tt -67.5 -31.95 72.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.44 110.924 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -57.22 -53.05 62.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.44 110.864 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.532 ' HA ' HG12 ' A' ' 76' ' ' VAL . 6.3 tt0 -74.3 -31.2 62.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.44 110.973 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.69 -43.25 84.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.52 110.933 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.543 HD12 ' HB2' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -76.86 -50.28 13.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.53 110.921 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.532 HG12 ' HA ' ' A' ' 73' ' ' GLN . 2.3 p -54.2 -34.41 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.53 111.08 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.55 2.2 56.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.52 110.906 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 79' ' ' ILE . 0.3 OUTLIER -82.09 -50.76 8.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.45 110.9 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 78' ' ' ARG . 1.2 tt 36.47 63.42 2.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.61 0.719 . . . . 0.54 111.096 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.404 ' HD3' ' HB3' ' A' ' 78' ' ' ARG . 53.9 Cg_endo -69.7 -49.09 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.257 . . . . 2.32 112.371 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.591 ' O ' ' HA2' ' A' ' 100' ' ' GLY . . . 123.58 -69.56 0.46 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.768 -0.73 . . . . 5.42 112.597 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.768 ' O ' ' N ' ' A' ' 84' ' ' MET . 65.8 t80 -67.17 155.6 38.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.809 0.338 . . . . 4.11 110.916 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -43.99 74.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 5.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.768 ' N ' ' O ' ' A' ' 82' ' ' PHE . 4.6 tpt -145.28 83.2 1.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.55 110.853 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.815 ' O ' HG22 ' A' ' 88' ' ' THR . 1.5 p30 171.56 47.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.54 110.876 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 1.009 ' HB2' ' HA ' ' A' ' 29' ' ' ASP . . . -77.71 -26.25 49.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.44 111.11 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.727 ' HB2' HD21 ' A' ' 71' ' ' LEU . 6.5 m-85 -53.31 -40.54 64.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.42 110.906 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.815 HG22 ' O ' ' A' ' 85' ' ' ASP . 10.1 t -62.69 -32.69 73.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.51 111.109 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -64.95 -60.07 3.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.42 110.885 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.63 -13.62 61.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.54 110.815 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.573 HD23 ' N ' ' A' ' 92' ' ' LYS . 0.6 OUTLIER -75.25 -63.7 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.44 110.933 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.573 ' N ' HD23 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -87.96 -86.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.43 110.823 179.836 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -135.1 -74.4 0.46 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.291 -0.413 . . . . 4.4 110.935 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -161.21 113.65 1.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 4.42 110.858 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.61 ' HE2' HG21 ' A' ' 88' ' ' THR . 0.0 OUTLIER -87.35 3.64 46.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.42 110.907 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -47.94 -37.74 15.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 4.23 110.826 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -48.29 -32.33 7.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 3.32 110.906 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 98' ' ' VAL . 15.5 m -153.06 93.23 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.482 . . . . 0.54 111.101 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.3 t -117.04 -166.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.52 110.804 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.591 ' HA2' ' O ' ' A' ' 81' ' ' GLY . . . -42.42 -29.79 0.75 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.77 -0.729 . . . . 3.23 112.452 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -47.7 -66.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 5.34 110.916 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 103' ' ' LEU . 9.7 tt -78.37 -39.48 24.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 4.02 111.158 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.433 ' HB3' ' HA2' ' A' ' 81' ' ' GLY . 0.6 OUTLIER -54.89 -59.16 5.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 3.33 110.907 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 81' ' ' GLY . 0.0 OUTLIER -58.19 -32.04 67.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 5.44 110.876 179.834 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.7 ttt -50.99 -57.38 8.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 3.51 110.926 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.2 mt -90.52 -45.06 9.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 4.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 103' ' ' LEU . 0.1 OUTLIER -68.34 -1.34 6.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 5.31 110.887 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -41.57 -26.62 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 5.3 111.15 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 107' ' ' LEU . 74.2 t80 -50.15 -25.83 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 5.21 110.939 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.6 t -158.51 67.43 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 5.55 111.048 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.45 ' HB2' ' HB2' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -49.67 178.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 4.34 110.905 179.852 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.518 ' CD1' ' HB3' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -56.45 -12.74 1.84 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.242 -0.436 . . . . 5.41 110.895 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.414 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 0.7 OUTLIER -37.31 -57.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 4.42 110.886 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' A' ' 117' ' ' GLU . . . -80.28 -52.84 7.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 5.12 111.083 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -52.93 -61.53 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 2.32 110.89 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -57.24 -39.32 75.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 5.41 110.901 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.493 ' HB3' ' O ' ' A' ' 114' ' ' ALA . 4.0 tt0 -44.88 -60.85 1.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 5.12 110.924 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -80.62 -50.2 10.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.126 -0.488 . . . . 1.51 110.865 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -54.02 -61.21 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.43 110.923 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.436 ' CB ' ' O ' ' A' ' 116' ' ' LYS . 4.2 m -56.22 -45.46 79.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.44 111.154 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -50.77 -42.5 57.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.51 110.8 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -79.08 -57.16 3.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.45 110.94 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -50.93 -48.49 60.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.43 110.913 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.628 ' HB1' ' CG ' ' A' ' 129' ' ' ARG . . . -65.97 -64.91 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.45 111.025 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.408 ' HA ' ' HB2' ' A' ' 129' ' ' ARG . 30.0 tt0 -49.72 -24.8 2.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.51 110.877 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.72 -49.6 61.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.32 110.855 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.47 -14.24 61.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.43 110.835 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 112.45 40.74 1.1 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.753 -0.737 . . . . 0.24 112.479 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.628 ' CG ' ' HB1' ' A' ' 124' ' ' ALA . 0.1 OUTLIER -37.05 -55.35 0.94 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.885 0.374 . . . . 4.32 110.853 -179.875 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.43 112.524 -179.936 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.458 -0.257 . . . . 41.52 112.458 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -171.16 98.93 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 31.43 110.872 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -146.72 150.72 35.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 4.2 110.868 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.31 -169.96 1.77 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.243 -0.435 . . . . 4.44 110.843 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -169.11 95.25 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 4.34 110.836 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.52 -172.27 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 5.03 110.871 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -51.89 153.16 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 3.12 110.853 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -179.88 -31.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.53 110.856 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -76.28 58.43 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 4.41 110.853 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -141.21 10.83 2.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.53 110.909 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -143.19 12.99 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.32 111.061 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.6 t70 63.87 95.73 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.53 110.838 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.42 -30.58 64.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.52 111.064 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.82 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.1 tt0 -48.86 -59.32 3.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.54 110.943 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.417 ' CE1' HD11 ' A' ' 64' ' ' ILE . 11.8 t80 -52.94 -38.39 61.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.4 110.899 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -68.41 -38.12 80.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.52 110.891 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.82 HD12 ' HA ' ' A' ' 14' ' ' GLU . 10.9 mt -63.39 -57.81 10.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.55 111.138 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 14' ' ' GLU . 1.7 m -61.31 -37.11 76.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.51 111.107 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.0 mm -58.32 -55.46 22.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.45 111.166 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.31 -46.46 93.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.42 112.522 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.457 ' O ' HG22 ' A' ' 25' ' ' ILE . 84.3 m-20 -66.1 -24.69 66.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.34 110.847 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.737 HD13 ' HB1' ' A' ' 86' ' ' ALA . 1.1 mm -72.22 -42.87 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.44 111.158 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.969 ' O ' HD12 ' A' ' 26' ' ' ILE . 4.6 pt-20 -70.5 -24.56 62.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.55 110.883 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.57 ' O ' HD13 ' A' ' 26' ' ' ILE . 12.7 m-20 -92.04 -41.35 10.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 3.52 110.875 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.557 HG22 ' HA ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -53.65 -27.46 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.51 111.099 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.969 HD12 ' O ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -47.27 -18.89 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 4.31 111.133 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.657 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.6 mmm -91.32 -32.08 15.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 5.42 110.932 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.483 ' O ' HG12 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -163.36 128.47 3.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 4.21 110.879 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.592 ' OD2' HG21 ' A' ' 88' ' ' THR . 13.8 m-20 -67.79 -30.62 70.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.5 110.849 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -45.23 -46.65 12.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 4.43 110.877 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -55.9 -34.79 65.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 5.41 110.795 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.516 ' HG3' ' HA ' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -63.14 -41.82 99.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.5 110.902 -179.854 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -55.22 -46.84 75.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 5.52 110.849 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.57 -55.98 12.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 3.41 110.854 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -54.39 -55.45 28.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 1.13 110.933 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -48.98 -54.33 16.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 5.51 110.886 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.2 t -54.07 -33.13 56.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 4.52 110.914 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -60.71 -54.35 46.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.507 . . . . 4.32 110.915 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.634 ' SD ' HG21 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -71.14 -38.66 72.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 4.21 110.881 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.74 -50.98 62.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 5.11 110.938 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -71.96 -45.84 59.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 5.23 110.87 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -53.42 -42.83 67.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.279 -0.419 . . . . 4.11 110.928 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -73.75 -50.57 20.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.089 -0.505 . . . . 4.43 110.98 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -56.02 -23.92 36.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 4.41 110.893 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -59.51 -40.56 87.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 4.41 110.892 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -179.73 -34.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.074 -0.512 . . . . 5.4 110.899 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.14 151.91 4.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 3.34 110.891 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -114.38 174.8 5.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 4.21 110.81 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.6 m -121.42 -163.12 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.15 110.817 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.503 ' O ' HG23 ' A' ' 57' ' ' THR . 0.4 OUTLIER 68.19 22.21 8.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 0.52 110.876 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 51.63 -169.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.54 110.876 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -140.2 38.0 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.52 110.915 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.05 179.22 4.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.44 110.919 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.6 mt -84.7 -60.92 1.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.42 110.942 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.34 -25.39 16.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.22 110.87 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.568 ' HA ' HG22 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -72.6 -34.9 67.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.51 110.954 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.583 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 1.2 m -57.71 -55.55 43.62 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.546 0.688 . . . . 0.5 111.127 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 57' ' ' THR . 53.0 Cg_endo -69.75 -52.64 0.31 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.62 2.214 . . . . 0.44 112.337 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.568 HG22 ' HA ' ' A' ' 56' ' ' TYR . 8.6 tt -53.63 -34.28 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.35 111.101 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -73.65 -53.28 10.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.44 110.881 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -58.54 -52.25 66.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.55 110.971 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -55.92 -50.47 70.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.52 110.915 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.581 ' HA ' HD12 ' A' ' 66' ' ' ILE . 2.5 m-85 -51.57 -55.98 16.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.55 110.872 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.417 HD11 ' CE1' ' A' ' 15' ' ' PHE . 49.4 mm -61.6 -36.96 76.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.5 111.094 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.04 -36.35 81.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.5 110.919 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 63' ' ' TYR . 8.8 mt -65.79 -55.27 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.51 111.088 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.508 HD23 ' C ' ' A' ' 67' ' ' LEU . 5.9 tt -61.9 -48.89 78.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.52 110.954 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -58.84 -36.81 75.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.43 110.872 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -63.66 -61.59 2.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 0.55 110.935 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -52.48 61.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.53 110.906 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.517 HD21 ' O ' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -52.26 -66.95 0.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.53 110.962 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -45.29 -44.94 11.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.54 110.9 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -53.68 -47.1 70.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.54 110.885 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -72.44 -42.91 64.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.53 110.92 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.844 HD21 ' HB2' ' A' ' 87' ' ' PHE . 3.5 mm? -49.91 -48.25 51.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.31 110.925 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.5 p -80.09 -30.26 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.45 111.105 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -71.98 -10.47 59.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.45 110.898 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -128.37 -70.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.55 110.901 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.572 ' CG2' HD13 ' A' ' 103' ' ' LEU . 20.5 mt 65.97 71.27 0.5 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.736 . . . . 0.44 111.129 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.541 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 54.0 Cg_endo -69.72 -23.77 30.58 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.668 2.245 . . . . 5.24 112.36 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.434 ' HA2' ' HB2' ' A' ' 103' ' ' LEU . . . 90.22 -65.58 2.83 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 2.4 112.527 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.435 ' HB2' ' HB3' ' A' ' 111' ' ' ASP . 1.9 t80 -61.08 136.1 57.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 4.41 110.843 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.53 72.25 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 4.43 110.883 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.483 ' HE2' ' HA ' ' A' ' 113' ' ' MET . 28.0 mmm -74.91 -12.49 60.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 5.14 110.818 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.567 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 1.7 p-10 -170.01 -177.38 2.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.53 110.847 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.737 ' HB1' HD13 ' A' ' 22' ' ' ILE . . . -79.63 -8.02 58.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.54 111.154 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.844 ' HB2' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -45.1 -29.56 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.45 110.907 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.592 HG21 ' OD2' ' A' ' 29' ' ' ASP . 55.4 m -75.92 -39.63 55.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.53 111.146 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.516 ' HA ' ' HG3' ' A' ' 32' ' ' GLN . 2.3 t-80 -47.67 -56.52 7.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.51 110.845 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.97 -36.37 81.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.44 110.832 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.766 HD21 ' HD3' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -68.76 -20.91 64.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.45 110.893 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.411 ' HG3' ' CD ' ' A' ' 32' ' ' GLN . 0.2 OUTLIER -49.48 -15.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 5.12 110.873 179.818 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.411 ' N ' ' C ' ' A' ' 91' ' ' LEU . 1.8 mm100 -45.05 -26.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.53 110.948 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -144.51 -29.73 0.47 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.198 -0.455 . . . . 1.4 110.873 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.766 ' HD3' HD21 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -72.12 -1.53 15.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.44 110.929 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -51.29 -40.15 58.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 4.52 110.826 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.97 -28.74 69.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 4.44 110.884 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.68 HG23 ' CG2' ' A' ' 102' ' ' ILE . 2.7 p -133.42 105.61 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.4 111.145 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.9 t -107.54 -175.12 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.45 110.83 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 104' ' ' ASP . . . -47.04 -25.58 2.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.767 -0.73 . . . . 4.24 112.536 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -39.66 -67.35 0.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 5.52 110.81 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.68 ' CG2' HG23 ' A' ' 98' ' ' VAL . 0.6 OUTLIER -84.91 -39.78 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 4.35 111.176 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.572 HD13 ' CG2' ' A' ' 79' ' ' ILE . 86.7 mt -59.19 -59.62 5.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 4.14 110.92 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -59.72 -35.09 73.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 5.1 110.914 179.807 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.74 -46.04 70.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 4.42 110.841 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 35.2 mt -87.85 -51.47 5.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.437 . . . . 3.43 110.869 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.415 ' C ' ' N ' ' A' ' 109' ' ' PHE . 4.4 mm? -64.0 -7.1 7.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 4.53 110.914 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -47.41 -17.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 4.52 111.126 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.415 ' N ' ' C ' ' A' ' 107' ' ' LEU . 54.8 t80 -53.23 -27.12 20.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 5.41 110.873 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 110' ' ' THR . 8.5 t 177.42 81.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 5.2 111.103 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.435 ' HB3' ' HB2' ' A' ' 82' ' ' PHE . 8.7 p30 -52.53 172.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 4.11 110.889 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.541 ' HB2' ' CB ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -70.82 0.74 6.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.54 110.877 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.483 ' HA ' ' HE2' ' A' ' 84' ' ' MET . 50.6 ttp -38.93 -29.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 5.04 110.872 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 112' ' ' PHE . . . -62.51 -71.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 5.03 111.04 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -68.71 -28.65 67.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.53 110.892 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 120' ' ' THR . 0.8 OUTLIER -72.96 -32.94 65.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.51 110.943 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -47.32 -53.69 12.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.138 -0.483 . . . . 4.11 110.9 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -51.63 9.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.43 110.853 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -56.12 -57.99 9.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.998 0.428 . . . . 0.53 110.891 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 116' ' ' LYS . 35.1 m -52.58 -47.45 66.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.52 111.135 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -45.71 -40.9 9.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.54 110.84 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -76.41 -57.38 3.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.42 110.897 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.463 ' CZ ' HD11 ' A' ' 67' ' ' LEU . 8.2 mtp180 -54.27 -57.96 9.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.44 110.845 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.501 ' HB1' ' HG2' ' A' ' 129' ' ' ARG . . . -52.68 -63.45 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.42 111.169 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.401 ' HA ' ' HG3' ' A' ' 129' ' ' ARG . 0.2 OUTLIER -53.37 -24.49 12.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.55 110.874 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.58 -50.46 13.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.54 110.884 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -69.19 -13.65 62.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.53 110.959 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 95.52 39.85 4.33 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.712 -0.756 . . . . 0.34 112.428 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.501 ' HG2' ' HB1' ' A' ' 124' ' ' ALA . 0.1 OUTLIER -49.55 -26.07 3.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 4.12 110.864 -179.835 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 5.35 112.491 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.434 -0.266 . . . . 0.52 112.434 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -110.73 111.95 23.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.863 0.363 . . . . 0.44 110.806 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -157.86 25.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.43 110.86 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -136.29 149.45 48.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.45 110.845 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -94.19 40.9 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.55 110.802 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.8 t60 51.89 54.41 10.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.55 110.956 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -141.71 -169.29 2.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.43 110.888 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.93 -168.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.51 110.896 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 64.89 157.24 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.45 110.901 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.1 t0 63.88 23.5 13.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.44 110.845 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -164.91 -40.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.54 111.069 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.84 84.12 1.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.51 110.879 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.16 -32.0 66.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.31 111.088 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -47.74 -56.49 7.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.41 110.901 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -50.89 -46.5 60.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.53 110.864 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.51 -37.61 87.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.51 110.912 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.404 HG21 ' SD ' ' A' ' 39' ' ' MET . 25.3 mm -60.97 -55.94 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.44 111.136 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.1 m -61.07 -38.65 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.51 111.115 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.3 mm -56.65 -56.52 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.44 111.12 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.95 -49.79 74.56 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.772 -0.728 . . . . 0.4 112.579 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.701 ' O ' HG23 ' A' ' 25' ' ' ILE . 20.3 m120 -63.22 -27.49 69.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 0.52 110.876 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.584 ' O ' HG13 ' A' ' 25' ' ' ILE . 1.6 mm -65.0 -43.82 96.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.54 111.134 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -68.31 -28.81 67.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.54 110.878 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.38 -49.44 9.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 5.43 110.858 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.091 HD13 ' HB3' ' A' ' 86' ' ' ALA . 2.9 pp -50.87 -24.96 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.51 111.151 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.622 ' N ' HD12 ' A' ' 25' ' ' ILE . 8.4 mt -48.54 -18.24 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.54 111.079 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.8 mtt -85.27 -32.11 22.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 5.31 110.868 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -149.35 140.94 23.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 5.53 110.838 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.774 ' HA ' ' HB2' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -79.11 -54.66 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.32 110.827 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.23 -50.66 8.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 5.34 110.829 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -49.03 -36.01 16.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 4.35 110.847 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.736 ' NE2' ' HB1' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -68.03 -38.65 82.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.51 110.929 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -55.1 -43.62 74.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 5.2 110.86 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 mp -70.15 -56.75 6.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.246 -0.434 . . . . 74.54 110.951 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -56.67 -55.91 28.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.45 110.89 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 -51.02 -52.98 37.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 5.23 110.914 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.4 t -51.75 -38.27 54.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 5.44 110.874 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -62.52 -54.05 45.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 4.33 110.891 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.404 ' SD ' HG21 ' A' ' 17' ' ' ILE . 10.1 tpt -66.46 -30.99 71.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 5.14 110.895 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -62.11 -55.68 26.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 5.31 110.887 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -45.03 89.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 5.51 110.871 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -58.92 -41.36 87.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 5.33 110.919 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -74.0 -52.24 13.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 5.35 110.931 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -54.77 -30.1 55.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.509 . . . . 5.34 110.911 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.34 -17.27 58.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 5.4 110.876 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -119.28 -77.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 4.22 110.919 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -142.68 -172.8 3.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 5.32 110.895 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -122.46 -169.82 1.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 5.35 110.862 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.2 m -80.18 -163.43 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.44 110.858 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 65.06 19.86 11.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.12 -0.491 . . . . 0.45 110.917 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -142.58 136.02 28.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 4.21 110.901 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -174.38 -75.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.53 110.847 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.33 -165.31 2.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.51 110.859 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.33 -50.38 11.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.227 -0.442 . . . . 0.52 110.929 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 p -93.26 -27.27 16.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.42 110.849 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -71.37 -39.03 71.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.54 110.915 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.534 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 1.1 m -51.3 -57.56 13.68 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.587 0.708 . . . . 0.45 111.151 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 57' ' ' THR . 53.6 Cg_endo -69.78 -52.72 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.734 2.29 . . . . 0.45 112.288 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.1 mt -52.53 -39.22 28.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.55 111.174 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -71.57 -52.13 19.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.44 110.848 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -53.85 -53.84 46.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.41 110.896 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -57.08 -55.85 29.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.54 110.887 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.429 ' HA ' HD12 ' A' ' 66' ' ' ILE . 3.3 m-85 -51.23 -51.47 53.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.43 110.814 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.1 mm -62.65 -33.55 60.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.34 111.108 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -37.92 85.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.53 110.847 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 63' ' ' TYR . 5.6 mt -70.28 -52.46 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.55 111.111 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.527 HD23 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -57.88 -46.89 84.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.45 110.928 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.527 ' N ' HD23 ' A' ' 67' ' ' LEU . 15.6 pt-20 -67.44 -33.19 74.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.45 110.886 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.06 -55.75 30.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.54 110.851 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -63.77 -52.31 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.52 110.82 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.679 HD13 ' CZ ' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -54.35 -40.96 68.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.446 . . . . 0.53 110.904 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.594 ' CB ' HD21 ' A' ' 91' ' ' LEU . 20.9 tt0 -64.95 -46.53 81.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.43 110.86 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -58.66 -33.98 70.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.42 110.907 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -80.5 -50.08 10.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.45 110.902 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.768 HD13 ' HB ' ' A' ' 88' ' ' THR . 1.3 mt -63.65 -26.36 68.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.43 110.919 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.5 p -87.11 -35.32 8.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.41 111.107 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -88.83 2.63 53.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.52 110.833 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -96.12 -47.09 6.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.54 110.901 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 78' ' ' ARG . 0.8 OUTLIER 34.78 62.13 2.15 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.678 0.752 . . . . 0.44 111.103 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.56 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 53.8 Cg_endo -69.79 -34.06 15.25 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.73 2.287 . . . . 0.45 112.334 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.459 ' CA ' ' HB3' ' A' ' 103' ' ' LEU . . . 89.43 -24.16 15.54 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.775 -0.726 . . . . 4.32 112.522 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.774 ' CZ ' HG23 ' A' ' 110' ' ' THR . 0.0 OUTLIER -94.42 153.86 17.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 5.3 110.827 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -46.1 73.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.492 . . . . 5.13 110.882 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.758 ' N ' ' O ' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -83.28 -169.43 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.45 110.844 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -50.37 121.29 5.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.52 110.82 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 1.091 ' HB3' HD13 ' A' ' 25' ' ' ILE . . . -68.6 -8.55 42.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.22 111.094 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.679 ' CZ ' HD13 ' A' ' 71' ' ' LEU . 59.1 t80 -46.16 -29.02 1.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.45 110.926 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.768 ' HB ' HD13 ' A' ' 75' ' ' LEU . 2.9 t -58.13 -46.29 85.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.44 111.223 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.454 ' CB ' ' NE2' ' A' ' 32' ' ' GLN . 20.4 t-80 -59.93 -56.61 19.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.54 110.851 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.433 ' HB3' HD11 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -71.12 -10.95 60.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.5 110.888 -179.832 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.594 HD21 ' CB ' ' A' ' 72' ' ' GLU . 3.9 tp -75.52 -61.55 1.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.54 110.875 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -84.82 -87.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.5 110.899 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -135.56 -77.14 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 5.14 110.927 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -164.22 89.61 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 5.45 110.862 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.49 6.45 10.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.256 -0.429 . . . . 0.54 110.92 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -45.98 -44.25 14.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 3.41 110.915 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 98' ' ' VAL . 3.7 mt-10 -45.73 -30.48 1.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 5.42 110.875 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.517 ' O ' HG12 ' A' ' 98' ' ' VAL . 13.9 t -154.99 95.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 0.45 111.117 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.6 t -115.44 -177.84 3.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.43 110.817 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 104' ' ' ASP . . . -50.86 -18.42 2.77 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.717 -0.754 . . . . 4.14 112.426 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.86 -63.25 1.02 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.791 0.329 . . . . 4.41 110.901 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.64 HG23 ' H ' ' A' ' 103' ' ' LEU . 2.4 tt -63.73 -58.83 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 4.53 111.15 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.64 ' H ' HG23 ' A' ' 102' ' ' ILE . 4.3 mm? -52.96 -28.1 22.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 4.22 110.897 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' A' ' 100' ' ' GLY . 6.2 t70 -65.51 -41.81 92.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 4.44 110.909 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -37.75 67.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 5.1 110.85 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -88.79 -56.47 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 5.04 110.945 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 109' ' ' PHE . 0.2 OUTLIER -73.27 5.0 3.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 5.42 110.927 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.4 OUTLIER -40.63 -21.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 4.43 111.137 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 107' ' ' LEU . 19.1 t80 -43.84 -29.57 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 5.44 110.909 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.774 HG23 ' CZ ' ' A' ' 82' ' ' PHE . 1.1 t -151.86 77.44 1.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 3.42 111.142 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.546 ' O ' ' O ' ' A' ' 110' ' ' THR . 13.7 p-10 -43.42 178.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 5.03 110.877 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.522 ' N ' ' HB2' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -56.07 -9.95 0.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 5.32 110.853 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.12 -38.52 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 4.4 110.814 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.439 ' O ' ' HB3' ' A' ' 117' ' ' GLU . . . -79.55 -57.24 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 5.32 111.179 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.403 ' O ' ' HB2' ' A' ' 119' ' ' PHE . 22.8 t80 -57.39 -57.27 13.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.53 110.926 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 120' ' ' THR . 0.0 OUTLIER -56.72 -40.15 75.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 4.42 110.888 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.439 ' HB3' ' O ' ' A' ' 114' ' ' ALA . 5.8 tp10 -45.44 -59.07 2.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 5.02 110.854 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.82 -53.5 6.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.34 110.874 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.652 ' CZ ' HD23 ' A' ' 71' ' ' LEU . 1.4 t80 -53.22 -61.7 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.55 110.898 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.568 HG23 HG21 ' A' ' 26' ' ' ILE . 3.9 m -55.31 -44.24 75.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.44 111.08 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -48.06 -48.51 33.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.44 110.916 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.07 -56.35 4.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.44 110.905 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.536 ' HD2' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -50.33 -54.52 20.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.51 110.874 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.647 ' HB1' ' CG ' ' A' ' 129' ' ' ARG . . . -61.11 -64.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.55 111.102 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -48.26 -27.15 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.33 110.851 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.48 -49.49 66.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.187 -0.46 . . . . 0.44 110.898 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.22 -10.29 56.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.41 110.841 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.668 ' O ' ' C ' ' A' ' 129' ' ' ARG . . . 81.97 39.79 11.26 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.776 -0.725 . . . . 0.35 112.483 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.668 ' C ' ' O ' ' A' ' 128' ' ' GLY . 0.0 OUTLIER -6.26 -80.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.327 . . . . 0.52 110.911 -179.845 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.723 . . . . 0.42 112.497 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.465 -0.254 . . . . 1.15 112.465 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -160.75 -177.96 6.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 3.11 110.852 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 59.24 83.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 2.5 110.833 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -141.15 25.17 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 4.13 110.883 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 69.17 -75.86 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 4.34 110.871 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 63.2 179.23 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.42 110.868 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.638 ' C ' HD13 ' A' ' 8' ' ' LEU . 0.8 OUTLIER 61.88 -176.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.45 110.845 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.638 HD13 ' C ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -150.78 18.25 0.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.54 110.934 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 42.29 -162.15 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.182 -0.463 . . . . 5.52 110.821 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 48.12 31.94 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.508 . . . . 2.04 110.878 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -154.79 -74.0 0.12 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.52 111.064 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -168.13 29.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.5 110.868 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.408 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . . . -72.21 -48.13 45.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.53 111.127 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.36 -59.99 3.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.51 110.891 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -53.75 -39.06 65.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.51 110.903 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.1 -35.33 80.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.54 110.952 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.7 mm -63.07 -61.52 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.486 . . . . 0.55 111.122 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.727 HG13 ' HG2' ' A' ' 40' ' ' GLU . 1.1 m -59.55 -37.67 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.45 111.121 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.523 ' O ' HG22 ' A' ' 22' ' ' ILE . 4.4 mm -56.92 -58.89 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.5 111.123 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.86 -42.42 53.31 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.43 112.526 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.953 ' O ' HG23 ' A' ' 25' ' ' ILE . 3.2 m120 -58.42 -40.16 81.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.367 . . . . 0.5 110.912 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.667 HD12 ' HB3' ' A' ' 86' ' ' ALA . 2.5 tp -50.39 -40.11 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.55 111.142 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.907 ' O ' HD12 ' A' ' 26' ' ' ILE . 2.7 pt-20 -67.11 -26.39 66.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.52 110.821 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.539 ' O ' HD13 ' A' ' 26' ' ' ILE . 0.6 OUTLIER -92.1 -27.26 17.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.199 -0.455 . . . . 4.34 110.85 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.953 HG23 ' O ' ' A' ' 21' ' ' ASN . 1.2 pp -69.05 -20.19 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 1.01 111.152 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.907 HD12 ' O ' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -37.96 -28.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 3.13 111.155 179.876 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 25' ' ' ILE . 2.8 mtt -91.17 -36.13 14.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 5.43 110.865 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -174.68 114.96 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 4.41 110.831 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.637 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . 0.3 OUTLIER -87.64 -26.67 22.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 4.14 110.817 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -45.57 -55.78 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 5.3 110.885 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.405 ' O ' ' HB3' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -85.59 -56.79 3.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 72.53 110.863 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -48.23 -55.18 11.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 5.25 110.88 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.832 ' CG ' ' HB1' ' A' ' 86' ' ' ALA . 4.8 t60 -68.04 -38.79 82.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.54 110.863 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.434 ' CB ' ' O ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER -43.01 -55.97 3.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 23.21 110.872 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -77.02 -54.42 6.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 61.34 110.897 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -52.14 -63.57 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.54 110.891 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 33' ' ' HIS . 1.0 OUTLIER -54.5 -41.46 69.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.54 110.878 -179.792 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -49.66 -54.72 16.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 5.02 110.862 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 84.2 mtp -60.88 -51.44 69.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 4.52 110.888 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.727 ' HG2' HG13 ' A' ' 18' ' ' VAL . 5.1 tp10 -56.27 -34.38 66.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 4.24 110.929 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.413 ' HA ' ' HB2' ' A' ' 45' ' ' GLU . 13.6 mttt -67.93 -65.49 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 4.24 110.841 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -56.53 -16.78 6.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 4.31 110.908 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -78.51 -61.99 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 5.43 110.885 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.406 HD13 ' HB3' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -103.61 -48.14 4.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 2.42 110.942 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 41' ' ' LYS . 2.9 tm-20 -53.73 -23.42 11.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 4.32 110.877 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -65.81 -81.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 5.34 110.911 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -145.44 95.2 2.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 4.42 110.899 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.406 ' HB3' HD13 ' A' ' 44' ' ' LEU . 0.4 OUTLIER 179.38 -167.7 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 3.43 110.844 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.67 -170.37 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 3.34 110.844 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -48.08 -71.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.504 . . . . 0.43 110.887 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 47.77 86.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 3.25 110.894 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -148.89 -169.87 3.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.55 110.845 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -56.44 -179.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.45 110.927 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.02 -38.28 90.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.54 110.935 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.47 -29.19 15.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.54 110.892 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -71.79 -38.75 70.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.52 110.909 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.542 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 1.1 m -51.08 -57.6 13.28 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.59 0.71 . . . . 0.53 111.157 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 57' ' ' THR . 53.3 Cg_endo -69.81 -51.13 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.669 2.246 . . . . 0.55 112.281 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 22.8 mm -53.86 -35.28 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.53 111.134 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -74.06 -52.09 13.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.54 110.902 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.55 -48.1 80.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.43 110.813 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -62.14 -49.2 76.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.5 110.852 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.458 ' HA ' HD12 ' A' ' 66' ' ' ILE . 2.4 m-85 -52.65 -66.16 0.43 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.52 110.953 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.2 mm -50.78 -43.09 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.51 . . . . 0.43 111.127 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -62.14 -40.43 95.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.51 110.838 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 63' ' ' TYR . 11.6 mt -61.03 -57.27 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.43 111.17 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.6 HD21 ' CE1' ' A' ' 87' ' ' PHE . 2.1 tt -63.71 -36.46 83.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.44 110.912 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -56.47 -56.8 16.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.51 110.879 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -46.93 73.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.43 110.872 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -53.79 -53.32 53.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.264 -0.425 . . . . 0.5 110.861 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.567 HD13 ' CG ' ' A' ' 87' ' ' PHE . 19.6 mt -71.54 -29.0 64.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.51 110.887 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -56.34 -54.69 42.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.52 110.865 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.598 ' HA ' HG12 ' A' ' 76' ' ' VAL . 4.5 tp60 -75.62 -38.01 59.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.43 110.887 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.83 -46.6 88.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.33 110.906 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.667 HD23 ' N ' ' A' ' 88' ' ' THR . 0.5 OUTLIER -76.41 -60.02 2.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.51 110.815 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.598 HG12 ' HA ' ' A' ' 73' ' ' GLN . 2.4 p -48.01 -27.58 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.42 111.089 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.38 -37.53 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.53 110.898 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 79' ' ' ILE . 10.9 mmt-85 -128.12 -27.63 2.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.53 110.943 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.431 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.5 OUTLIER 36.37 55.01 2.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.629 0.728 . . . . 0.52 111.167 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.603 ' HG2' ' HE3' ' A' ' 84' ' ' MET . 53.7 Cg_endo -69.71 110.12 2.47 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.732 2.288 . . . . 0.33 112.352 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.536 ' HA3' ' HA ' ' A' ' 103' ' ' LEU . . . -29.97 -45.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.703 -0.76 . . . . 0.4 112.486 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.537 ' HB3' ' HB3' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -51.73 152.87 2.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 5.23 110.846 -179.865 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -65.12 74.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 5.22 110.924 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.603 ' HE3' ' HG2' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -88.6 -12.9 41.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.52 110.936 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.453 ' N ' ' SD ' ' A' ' 84' ' ' MET . 0.5 OUTLIER 167.35 113.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.55 110.886 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.832 ' HB1' ' CG ' ' A' ' 33' ' ' HIS . . . -56.36 -21.26 23.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.5 111.116 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.6 ' CE1' HD21 ' A' ' 67' ' ' LEU . 4.6 m-85 -55.89 -52.72 63.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.42 110.866 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.667 ' N ' HD23 ' A' ' 75' ' ' LEU . 1.5 t -57.9 -29.81 65.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.53 111.089 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.486 ' HB2' ' O ' ' A' ' 86' ' ' ALA . 0.3 OUTLIER -64.26 -62.36 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.53 110.903 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.0 t -74.42 -18.8 60.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.5 110.813 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.449 ' CB ' ' O ' ' A' ' 87' ' ' PHE . 5.9 tp -79.1 -58.33 3.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.45 110.912 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.81 -84.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.53 110.913 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -132.66 -78.01 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 5.41 110.927 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -159.32 23.59 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 5.4 110.777 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.0 -15.72 2.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.44 110.863 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.443 ' CA ' ' HB3' ' A' ' 89' ' ' HIS . 4.2 p30 -49.65 -27.24 4.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 3.11 110.916 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.414 ' O ' ' HB ' ' A' ' 98' ' ' VAL . 0.3 OUTLIER -55.34 -55.28 33.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 4.52 110.888 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.414 ' HB ' ' O ' ' A' ' 97' ' ' GLU . 9.8 p 178.82 140.93 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 45.21 111.121 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.548 ' OG ' HG23 ' A' ' 102' ' ' ILE . 2.0 t -107.65 86.83 2.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 5.4 110.894 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -94.45 -68.18 1.04 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 3.15 112.394 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -64.88 -48.62 73.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 33.12 110.845 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.548 HG23 ' OG ' ' A' ' 99' ' ' SER . 2.2 tp -59.96 -37.01 70.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 3.4 111.127 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.805 HD13 ' N ' ' A' ' 104' ' ' ASP . 0.2 OUTLIER -57.09 -58.11 9.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 4.12 110.867 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.805 ' N ' HD13 ' A' ' 103' ' ' LEU . 0.3 OUTLIER -70.58 -37.08 73.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 5.24 110.805 179.859 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.574 ' O ' HG22 ' A' ' 108' ' ' THR . 6.0 mtt -59.0 -46.68 87.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 5.03 110.837 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.457 ' HB2' ' H ' ' A' ' 81' ' ' GLY . 4.3 mm? -84.26 -48.85 9.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 5.25 110.869 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.635 HD13 ' C ' ' A' ' 107' ' ' LEU . 1.8 tm? -45.24 -35.17 3.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 5.52 110.925 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 105' ' ' MET . 11.8 t -43.5 -43.25 5.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 5.11 111.132 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.466 ' N ' HG23 ' A' ' 108' ' ' THR . 0.3 OUTLIER -130.91 -54.04 1.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 4.34 110.885 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.584 ' O ' HG22 ' A' ' 110' ' ' THR . 1.3 m -96.16 99.94 11.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 4.43 111.146 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.464 ' HB3' HD22 ' A' ' 107' ' ' LEU . 53.0 p-10 -109.57 156.58 19.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 5.51 110.892 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.537 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -57.24 -17.46 11.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 5.43 110.913 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 9.6 ttt -38.38 -50.02 1.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 5.13 110.892 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.436 ' O ' ' HB3' ' A' ' 117' ' ' GLU . . . -78.52 -55.0 5.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 1.22 111.081 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -63.63 1.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.42 110.904 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -50.13 -40.26 45.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 4.41 110.916 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.436 ' HB3' ' O ' ' A' ' 114' ' ' ALA . 7.7 tp10 -46.69 -59.87 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 4.4 110.856 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -79.73 -52.33 8.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.54 110.877 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -52.33 -61.53 2.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.45 110.89 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.452 ' CB ' ' O ' ' A' ' 116' ' ' LYS . 4.3 m -55.62 -44.99 77.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.54 111.107 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -51.78 -42.14 62.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.52 110.848 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -79.43 -57.05 3.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.45 110.906 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -45.05 56.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.53 110.909 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.603 ' HB1' ' CG ' ' A' ' 129' ' ' ARG . . . -69.4 -63.95 0.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.53 111.071 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.406 ' HA ' ' HB2' ' A' ' 129' ' ' ARG . 0.7 OUTLIER -48.8 -24.87 1.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.45 110.882 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.5 ttmm -67.79 -49.91 59.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.154 -0.475 . . . . 0.54 110.843 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -72.59 -14.22 61.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.34 110.881 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 112.3 40.59 1.13 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.667 -0.778 . . . . 0.5 112.489 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.603 ' CG ' ' HB1' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -38.36 -60.5 0.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.822 0.344 . . . . 3.34 110.863 -179.808 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 0.44 112.555 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.545 ' HB1' ' OD1' ' A' ' 52' ' ' ASN . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.791 0.329 . . . . 0.51 111.119 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -122.1 82.88 2.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.5 110.875 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.46 -50.17 73.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.42 111.076 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.437 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.0 pp20? -50.66 -40.97 54.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.51 110.928 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.426 ' CE1' HD11 ' A' ' 64' ' ' ILE . 26.4 t80 -57.88 -55.63 32.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.4 110.845 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -58.72 -33.6 70.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.44 110.871 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 14' ' ' GLU . 88.4 mt -62.59 -57.12 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.53 111.106 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.4 m -63.35 -34.69 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.54 111.17 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.6 mm -59.54 -56.24 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.55 111.115 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.98 -52.01 55.9 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.44 112.514 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.648 ' O ' HG23 ' A' ' 25' ' ' ILE . 63.9 m-80 -61.96 -27.35 68.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.54 110.888 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.584 ' O ' HG13 ' A' ' 25' ' ' ILE . 0.8 OUTLIER -64.91 -47.61 87.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.44 111.133 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.423 ' C ' HG12 ' A' ' 26' ' ' ILE . 0.7 OUTLIER -63.75 -29.33 70.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.54 110.927 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -82.52 -47.88 11.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 5.33 110.859 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.031 HD13 ' HB3' ' A' ' 86' ' ' ALA . 2.8 pp -58.47 -18.52 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.51 111.121 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.733 ' CG2' HG23 ' A' ' 120' ' ' THR . 50.1 mm -42.62 -27.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.53 111.111 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -95.34 -31.03 13.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 4.12 110.891 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 25' ' ' ILE . 13.6 mt-10 -132.4 126.25 32.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 5.32 110.875 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.967 ' HA ' ' HB2' ' A' ' 86' ' ' ALA . 2.6 m-20 -78.94 -47.11 17.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 3.13 110.892 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -47.01 -44.12 20.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 5.03 110.887 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.57 ' HB3' HG22 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -49.26 -41.75 38.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 5.43 110.901 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.688 ' HB2' HG21 ' A' ' 25' ' ' ILE . 1.5 tt0 -68.77 -41.33 78.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.54 110.892 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -50.24 -44.34 53.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 5.41 110.832 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.68 -57.73 3.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 71.22 110.897 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -54.71 -57.16 12.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 3.21 110.918 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -52.05 -51.59 56.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 4.41 110.904 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.0 t -51.28 -38.41 52.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 4.35 110.833 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -65.44 -53.61 40.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 5.51 110.888 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -35.92 80.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 5.02 110.878 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.426 ' O ' HD23 ' A' ' 44' ' ' LEU . 30.4 tt0 -61.37 -55.02 36.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 5.42 110.874 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -59.04 -46.74 87.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 3.21 110.913 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.05 -50.35 73.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 4.55 110.937 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -61.3 -55.44 31.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 5.55 110.945 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 40' ' ' GLU . 4.2 mm? -57.34 -29.4 63.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 5.51 110.925 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -91.98 14.31 16.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 5.45 110.873 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -135.65 -79.86 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 5.32 110.893 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -143.29 -172.55 3.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 5.42 110.84 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.45 -169.03 2.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 4.24 110.862 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.7 m -69.26 -164.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.52 110.875 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 63.82 21.86 12.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.45 110.874 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 57' ' ' THR . 0.1 OUTLIER -94.15 -163.33 1.03 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 3.15 110.924 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.545 ' OD1' ' HB1' ' A' ' 11' ' ' ALA . 3.4 m-80 70.88 -173.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.55 110.835 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -169.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.54 110.91 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.5 mp -81.45 -21.43 38.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.53 110.89 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.92 -36.51 14.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.54 110.851 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -69.05 -33.57 73.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.54 110.904 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.491 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -51.15 -59.96 6.63 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.543 0.687 . . . . 0.54 111.157 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 57' ' ' THR . 53.5 Cg_endo -69.79 -51.15 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.54 112.315 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.8 mt -52.64 -40.19 33.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.44 111.137 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -71.67 -51.72 21.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.44 110.869 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -55.28 -51.0 68.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.44 110.924 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -57.6 -57.37 13.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.43 110.923 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.635 ' HA ' HD12 ' A' ' 66' ' ' ILE . 1.6 m-85 -50.78 -63.04 1.25 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.44 110.921 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.426 HD11 ' CE1' ' A' ' 15' ' ' PHE . 37.5 mm -52.19 -44.13 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.44 111.103 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -60.87 -36.74 79.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.54 110.924 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.635 HD12 ' HA ' ' A' ' 63' ' ' TYR . 12.0 mt -64.27 -57.1 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.33 111.14 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.576 ' HG ' HD12 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -63.94 -49.82 71.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.42 110.907 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -54.48 -42.09 70.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.5 110.892 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -54.96 31.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.53 110.941 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -58.48 -52.34 66.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.53 110.88 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.684 HD22 ' CG ' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -62.67 -30.76 71.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.45 110.932 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.521 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.5 tm-20 -61.61 -54.52 41.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.45 110.892 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -62.48 -38.66 90.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.44 110.885 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.89 -50.83 61.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.44 110.873 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.807 HD12 ' HB ' ' A' ' 88' ' ' THR . 3.5 mm? -62.67 -40.03 95.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.52 110.906 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 72' ' ' GLU . 25.6 t -60.99 -51.06 77.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.31 111.12 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -83.76 2.73 36.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.41 110.875 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.45 ' HB2' ' HA ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -68.0 -69.86 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.55 110.859 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.437 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 16.7 mt 39.21 54.88 5.36 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.65 0.738 . . . . 0.52 111.109 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.445 ' HB3' ' CG ' ' A' ' 115' ' ' PHE . 53.8 Cg_endo -69.78 -49.38 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.709 2.273 . . . . 1.42 112.357 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.595 ' O ' ' HA2' ' A' ' 100' ' ' GLY . . . 126.59 -70.83 0.49 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 2.12 112.478 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.749 ' O ' ' N ' ' A' ' 84' ' ' MET . 4.0 t80 -79.22 153.69 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.883 0.373 . . . . 4.52 110.854 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -41.42 77.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 4.33 110.904 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.749 ' N ' ' O ' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -78.39 -66.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.55 110.9 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.461 ' CG ' HD11 ' A' ' 75' ' ' LEU . 11.3 p30 -148.23 132.79 17.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.41 110.899 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 1.031 ' HB3' HD13 ' A' ' 25' ' ' ILE . . . -75.06 -9.7 58.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.43 111.096 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.684 ' CG ' HD22 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -45.38 -31.18 1.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.45 110.892 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.807 ' HB ' HD12 ' A' ' 75' ' ' LEU . 8.2 t -62.8 -43.67 98.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.42 111.146 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.444 ' N ' HG23 ' A' ' 88' ' ' THR . 31.8 t-80 -58.62 -54.78 43.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.52 110.845 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.9 t -75.29 -13.28 60.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.42 110.87 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.3 tp -71.19 -64.44 0.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.51 110.933 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -87.8 -85.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.53 110.863 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -133.12 -73.51 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 4.1 110.922 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -161.93 112.78 1.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 5.15 110.87 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.561 ' HE3' HG21 ' A' ' 88' ' ' THR . 0.0 OUTLIER -84.86 1.0 49.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.44 110.886 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -50.57 -40.55 52.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 4.42 110.883 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -53.29 -29.94 35.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 4.51 110.861 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 98' ' ' VAL . 15.9 m -153.37 97.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.51 111.131 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.2 t -116.23 -164.69 0.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 4.44 110.839 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.595 ' HA2' ' O ' ' A' ' 81' ' ' GLY . . . -39.97 -32.25 0.35 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.697 -0.763 . . . . 5.24 112.509 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.1 -67.35 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 5.02 110.85 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.55 HG23 HD22 ' A' ' 103' ' ' LEU . 1.1 tt -81.24 -41.58 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 4.45 111.171 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.55 HD22 HG23 ' A' ' 102' ' ' ILE . 3.9 mm? -52.28 -60.96 2.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 4.2 110.957 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.498 ' HB3' ' O ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -60.78 -30.41 70.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 5.54 110.896 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.41 -56.66 11.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 4.53 110.85 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.3 mp -90.34 -44.34 9.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 5.45 110.913 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.448 ' HB3' ' HA3' ' A' ' 81' ' ' GLY . 0.0 OUTLIER -70.23 0.23 6.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 3.52 110.891 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -41.54 -25.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 5.41 111.096 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 107' ' ' LEU . 85.7 t80 -48.62 -26.57 2.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 5.42 110.91 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 110' ' ' THR . 7.6 t -157.22 67.39 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 4.43 111.147 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -50.29 178.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 4.44 110.902 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -60.13 -12.41 8.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 5.5 110.874 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -37.98 -57.02 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 5.01 110.909 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 117' ' ' GLU . . . -79.67 -54.41 5.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 4.32 111.101 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.445 ' CG ' ' HB3' ' A' ' 80' ' ' PRO . 42.9 m-85 -51.74 -61.5 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.54 110.865 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -57.67 -36.12 71.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 5.4 110.905 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 114' ' ' ALA . 2.0 mm-40 -44.94 -62.09 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 3.41 110.904 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.53 -49.74 10.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.53 110.852 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -53.55 -60.41 3.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.51 110.886 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.733 HG23 ' CG2' ' A' ' 26' ' ' ILE . 6.8 m -56.11 -45.82 79.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.41 111.159 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -48.88 -45.43 41.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.44 110.884 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -78.87 -57.42 3.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.52 110.911 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -50.82 -56.63 11.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.53 110.833 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.631 ' HB1' ' CG ' ' A' ' 129' ' ' ARG . . . -57.44 -64.01 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.51 111.107 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.418 ' HA ' ' HB2' ' A' ' 129' ' ' ARG . 6.9 tt0 -49.89 -24.4 2.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.53 110.894 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -78.31 -49.27 13.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.54 110.912 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -68.09 -14.63 63.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.52 110.9 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 112.51 40.68 1.1 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 0.44 112.511 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.631 ' CG ' ' HB1' ' A' ' 124' ' ' ALA . 1.7 tmt_? -39.23 -61.85 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.786 0.326 . . . . 4.05 110.85 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.793 -0.717 . . . . 0.45 112.53 -179.943 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.847 0.356 . . . . 0.34 111.173 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -147.4 78.31 1.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.55 110.934 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.61 -51.05 70.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.45 111.073 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.779 ' HA ' HD12 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -50.22 -46.93 55.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 2.31 110.945 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.626 ' CE1' HD11 ' A' ' 64' ' ' ILE . 11.4 t80 -51.39 -48.11 62.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.53 110.825 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -64.68 -36.77 85.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.44 110.856 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.779 HD12 ' HA ' ' A' ' 14' ' ' GLU . 61.7 mt -61.46 -56.5 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.52 111.125 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.2 m -59.15 -40.36 80.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.45 111.16 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.1 mm -56.24 -55.35 19.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.53 111.147 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.99 -51.46 58.16 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.74 -0.743 . . . . 0.42 112.531 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.737 ' O ' HG23 ' A' ' 25' ' ' ILE . 60.7 m-20 -60.22 -30.35 69.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.785 0.326 . . . . 0.34 110.889 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.642 HD12 ' HD1' ' A' ' 87' ' ' PHE . 2.2 mm -64.68 -41.34 91.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.53 111.142 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.95 ' O ' HD12 ' A' ' 26' ' ' ILE . 11.2 mt-10 -70.2 -23.01 62.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.44 110.909 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.404 ' O ' HD13 ' A' ' 26' ' ' ILE . 5.0 t0 -91.24 -37.37 13.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 5.24 110.9 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.937 HD13 ' HB3' ' A' ' 86' ' ' ALA . 2.7 pp -66.77 -18.53 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.52 111.112 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.95 HD12 ' O ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -44.8 -18.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.54 111.147 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.533 ' N ' HD13 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -88.19 -32.91 18.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 4.51 110.843 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 25' ' ' ILE . 1.4 mt-10 -142.45 140.53 31.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.232 -0.44 . . . . 4.54 110.829 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 1.009 ' HA ' ' HB2' ' A' ' 86' ' ' ALA . 2.1 t70 -76.61 -56.85 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.43 110.898 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -44.98 -36.88 3.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 4.32 110.949 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.461 ' HB3' HG22 ' A' ' 25' ' ' ILE . 2.3 m-85 -50.37 -50.38 51.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 4.41 110.886 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.808 ' HB3' ' HB1' ' A' ' 86' ' ' ALA . 3.3 tp-100 -68.18 -37.26 80.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.44 110.951 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -50.48 -46.31 56.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 5.41 110.866 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.92 -55.43 7.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 4.45 110.904 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -53.08 -57.0 11.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.5 110.926 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -36.96 72.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 3.21 110.905 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.16 -42.4 90.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 5.32 110.851 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -66.2 -54.36 26.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 5.31 110.885 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.652 ' SD ' HG21 ' A' ' 17' ' ' ILE . 1.7 mpp? -61.34 -36.45 80.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 4.43 110.888 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -62.14 -49.29 76.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 4.32 110.839 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -61.06 -54.25 47.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.492 . . . . 5.34 110.895 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -58.27 -48.9 78.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 5.41 110.942 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -60.25 -57.42 12.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.151 -0.477 . . . . 5.54 110.915 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.56 -23.49 58.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 5.55 110.993 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -93.35 14.66 17.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 5.41 110.877 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -152.43 -78.81 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 5.01 110.888 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.77 -176.18 3.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.498 . . . . 4.43 110.884 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -143.61 -167.11 2.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 5.21 110.875 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.74 -161.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 3.33 110.884 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.522 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -73.84 62.33 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.53 110.924 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -135.34 61.72 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 5.54 110.879 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -172.78 34.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 4.33 110.93 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -165.09 155.2 13.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.54 110.89 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.4 mp -85.32 -61.71 1.7 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.44 110.923 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.8 p -95.45 -28.08 15.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.42 110.873 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.92 -37.8 72.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.53 110.921 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.533 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 1.2 m -52.04 -57.85 13.51 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.573 0.701 . . . . 0.33 111.14 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 57' ' ' THR . 54.4 Cg_endo -69.76 -52.27 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.629 2.219 . . . . 0.52 112.364 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.2 mm -52.78 -38.71 28.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.44 111.183 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -71.99 -51.7 20.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.42 110.865 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -56.71 -53.29 59.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.43 110.861 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -56.38 -57.37 12.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.41 110.927 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -50.98 -65.38 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.55 110.986 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.626 HD11 ' CE1' ' A' ' 15' ' ' PHE . 44.1 mm -50.35 -42.11 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.44 111.129 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -61.24 -45.29 95.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.35 110.829 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.5 mt -57.79 -57.84 8.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.33 111.097 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.35 -24.14 67.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.143 -0.481 . . . . 0.44 110.892 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.531 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -68.09 -56.3 9.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.5 110.85 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -49.12 74.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.55 110.836 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -55.95 -53.04 61.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.4 110.913 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.727 HD21 ' HB2' ' A' ' 87' ' ' PHE . 9.7 tt -67.5 -31.95 72.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.44 110.924 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -57.22 -53.05 62.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.44 110.864 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.532 ' HA ' HG12 ' A' ' 76' ' ' VAL . 6.3 tt0 -74.3 -31.2 62.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.44 110.973 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.69 -43.25 84.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.52 110.933 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.543 HD12 ' HB2' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -76.86 -50.28 13.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.53 110.921 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.532 HG12 ' HA ' ' A' ' 73' ' ' GLN . 2.3 p -54.2 -34.41 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.53 111.08 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.55 2.2 56.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.52 110.906 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 79' ' ' ILE . 0.3 OUTLIER -82.09 -50.76 8.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.45 110.9 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 78' ' ' ARG . 1.2 tt 36.47 63.42 2.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.61 0.719 . . . . 0.54 111.096 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.404 ' HD3' ' HB3' ' A' ' 78' ' ' ARG . 53.9 Cg_endo -69.7 -49.09 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.257 . . . . 2.32 112.371 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.591 ' O ' ' HA2' ' A' ' 100' ' ' GLY . . . 123.58 -69.56 0.46 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.768 -0.73 . . . . 5.42 112.597 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.768 ' O ' ' N ' ' A' ' 84' ' ' MET . 65.8 t80 -67.17 155.6 38.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.809 0.338 . . . . 4.11 110.916 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -43.99 74.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 5.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.768 ' N ' ' O ' ' A' ' 82' ' ' PHE . 4.6 tpt -145.28 83.2 1.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.55 110.853 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.815 ' O ' HG22 ' A' ' 88' ' ' THR . 1.5 p30 171.56 47.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.54 110.876 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 1.009 ' HB2' ' HA ' ' A' ' 29' ' ' ASP . . . -77.71 -26.25 49.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.44 111.11 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.727 ' HB2' HD21 ' A' ' 71' ' ' LEU . 6.5 m-85 -53.31 -40.54 64.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.42 110.906 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.815 HG22 ' O ' ' A' ' 85' ' ' ASP . 10.1 t -62.69 -32.69 73.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.51 111.109 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -64.95 -60.07 3.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.42 110.885 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.63 -13.62 61.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.54 110.815 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.573 HD23 ' N ' ' A' ' 92' ' ' LYS . 0.6 OUTLIER -75.25 -63.7 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.44 110.933 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.573 ' N ' HD23 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -87.96 -86.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.43 110.823 179.836 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -135.1 -74.4 0.46 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.291 -0.413 . . . . 4.4 110.935 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -161.21 113.65 1.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 4.42 110.858 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.61 ' HE2' HG21 ' A' ' 88' ' ' THR . 0.0 OUTLIER -87.35 3.64 46.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.42 110.907 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -47.94 -37.74 15.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 4.23 110.826 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -48.29 -32.33 7.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 3.32 110.906 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 98' ' ' VAL . 15.5 m -153.06 93.23 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.482 . . . . 0.54 111.101 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.3 t -117.04 -166.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.52 110.804 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.591 ' HA2' ' O ' ' A' ' 81' ' ' GLY . . . -42.42 -29.79 0.75 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.77 -0.729 . . . . 3.23 112.452 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -47.7 -66.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 5.34 110.916 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 103' ' ' LEU . 9.7 tt -78.37 -39.48 24.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 4.02 111.158 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.433 ' HB3' ' HA2' ' A' ' 81' ' ' GLY . 0.6 OUTLIER -54.89 -59.16 5.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 3.33 110.907 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 81' ' ' GLY . 0.0 OUTLIER -58.19 -32.04 67.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 5.44 110.876 179.834 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.7 ttt -50.99 -57.38 8.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 3.51 110.926 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.2 mt -90.52 -45.06 9.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 4.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 103' ' ' LEU . 0.1 OUTLIER -68.34 -1.34 6.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 5.31 110.887 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -41.57 -26.62 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 5.3 111.15 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 107' ' ' LEU . 74.2 t80 -50.15 -25.83 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 5.21 110.939 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.6 t -158.51 67.43 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 5.55 111.048 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.45 ' HB2' ' HB2' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -49.67 178.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 4.34 110.905 179.852 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.518 ' CD1' ' HB3' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -56.45 -12.74 1.84 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.242 -0.436 . . . . 5.41 110.895 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.414 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 0.7 OUTLIER -37.31 -57.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 4.42 110.886 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' A' ' 117' ' ' GLU . . . -80.28 -52.84 7.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 5.12 111.083 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -52.93 -61.53 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 2.32 110.89 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -57.24 -39.32 75.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 5.41 110.901 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.493 ' HB3' ' O ' ' A' ' 114' ' ' ALA . 4.0 tt0 -44.88 -60.85 1.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 5.12 110.924 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -80.62 -50.2 10.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.126 -0.488 . . . . 1.51 110.865 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -54.02 -61.21 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.43 110.923 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.436 ' CB ' ' O ' ' A' ' 116' ' ' LYS . 4.2 m -56.22 -45.46 79.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.44 111.154 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -50.77 -42.5 57.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.51 110.8 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -79.08 -57.16 3.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.45 110.94 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -50.93 -48.49 60.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.43 110.913 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.628 ' HB1' ' CG ' ' A' ' 129' ' ' ARG . . . -65.97 -64.91 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.45 111.025 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.408 ' HA ' ' HB2' ' A' ' 129' ' ' ARG . 30.0 tt0 -49.72 -24.8 2.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.51 110.877 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.72 -49.6 61.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.32 110.855 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.47 -14.24 61.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.43 110.835 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 112.45 40.74 1.1 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.753 -0.737 . . . . 0.24 112.479 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.628 ' CG ' ' HB1' ' A' ' 124' ' ' ALA . 0.1 OUTLIER -37.05 -55.35 0.94 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.885 0.374 . . . . 4.32 110.853 -179.875 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.43 112.524 -179.936 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.805 0.336 . . . . 0.32 111.061 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.6 t70 63.87 95.73 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.53 110.838 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.42 -30.58 64.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.52 111.064 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.82 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.1 tt0 -48.86 -59.32 3.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.54 110.943 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.417 ' CE1' HD11 ' A' ' 64' ' ' ILE . 11.8 t80 -52.94 -38.39 61.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.4 110.899 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -68.41 -38.12 80.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.52 110.891 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.82 HD12 ' HA ' ' A' ' 14' ' ' GLU . 10.9 mt -63.39 -57.81 10.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.55 111.138 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 14' ' ' GLU . 1.7 m -61.31 -37.11 76.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.51 111.107 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.0 mm -58.32 -55.46 22.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.45 111.166 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.31 -46.46 93.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.42 112.522 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.457 ' O ' HG22 ' A' ' 25' ' ' ILE . 84.3 m-20 -66.1 -24.69 66.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.34 110.847 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.737 HD13 ' HB1' ' A' ' 86' ' ' ALA . 1.1 mm -72.22 -42.87 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.44 111.158 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.969 ' O ' HD12 ' A' ' 26' ' ' ILE . 4.6 pt-20 -70.5 -24.56 62.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.55 110.883 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.57 ' O ' HD13 ' A' ' 26' ' ' ILE . 12.7 m-20 -92.04 -41.35 10.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 3.52 110.875 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.557 HG22 ' HA ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -53.65 -27.46 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.51 111.099 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.969 HD12 ' O ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -47.27 -18.89 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 4.31 111.133 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.657 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.6 mmm -91.32 -32.08 15.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 5.42 110.932 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.483 ' O ' HG12 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -163.36 128.47 3.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 4.21 110.879 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.592 ' OD2' HG21 ' A' ' 88' ' ' THR . 13.8 m-20 -67.79 -30.62 70.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.5 110.849 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -45.23 -46.65 12.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 4.43 110.877 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -55.9 -34.79 65.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 5.41 110.795 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.516 ' HG3' ' HA ' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -63.14 -41.82 99.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.5 110.902 -179.854 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -55.22 -46.84 75.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 5.52 110.849 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.57 -55.98 12.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 3.41 110.854 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -54.39 -55.45 28.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 1.13 110.933 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -48.98 -54.33 16.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 5.51 110.886 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.2 t -54.07 -33.13 56.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 4.52 110.914 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -60.71 -54.35 46.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.507 . . . . 4.32 110.915 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.634 ' SD ' HG21 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -71.14 -38.66 72.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 4.21 110.881 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.74 -50.98 62.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 5.11 110.938 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -71.96 -45.84 59.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 5.23 110.87 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -53.42 -42.83 67.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.279 -0.419 . . . . 4.11 110.928 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -73.75 -50.57 20.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.089 -0.505 . . . . 4.43 110.98 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -56.02 -23.92 36.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 4.41 110.893 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -59.51 -40.56 87.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 4.41 110.892 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -179.73 -34.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.074 -0.512 . . . . 5.4 110.899 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.14 151.91 4.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 3.34 110.891 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -114.38 174.8 5.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 4.21 110.81 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.6 m -121.42 -163.12 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.15 110.817 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.503 ' O ' HG23 ' A' ' 57' ' ' THR . 0.4 OUTLIER 68.19 22.21 8.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 0.52 110.876 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 51.63 -169.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.54 110.876 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -140.2 38.0 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.52 110.915 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.05 179.22 4.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.44 110.919 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.6 mt -84.7 -60.92 1.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.42 110.942 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.34 -25.39 16.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.22 110.87 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.568 ' HA ' HG22 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -72.6 -34.9 67.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.51 110.954 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.583 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 1.2 m -57.71 -55.55 43.62 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.546 0.688 . . . . 0.5 111.127 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 57' ' ' THR . 53.0 Cg_endo -69.75 -52.64 0.31 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.62 2.214 . . . . 0.44 112.337 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.568 HG22 ' HA ' ' A' ' 56' ' ' TYR . 8.6 tt -53.63 -34.28 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.35 111.101 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -73.65 -53.28 10.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.44 110.881 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -58.54 -52.25 66.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.55 110.971 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -55.92 -50.47 70.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.52 110.915 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.581 ' HA ' HD12 ' A' ' 66' ' ' ILE . 2.5 m-85 -51.57 -55.98 16.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.55 110.872 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.417 HD11 ' CE1' ' A' ' 15' ' ' PHE . 49.4 mm -61.6 -36.96 76.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.5 111.094 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.04 -36.35 81.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.5 110.919 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 63' ' ' TYR . 8.8 mt -65.79 -55.27 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.51 111.088 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.508 HD23 ' C ' ' A' ' 67' ' ' LEU . 5.9 tt -61.9 -48.89 78.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.52 110.954 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -58.84 -36.81 75.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.43 110.872 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -63.66 -61.59 2.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 0.55 110.935 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -52.48 61.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.53 110.906 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.517 HD21 ' O ' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -52.26 -66.95 0.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.53 110.962 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -45.29 -44.94 11.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.54 110.9 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -53.68 -47.1 70.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.54 110.885 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -72.44 -42.91 64.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.53 110.92 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.844 HD21 ' HB2' ' A' ' 87' ' ' PHE . 3.5 mm? -49.91 -48.25 51.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.31 110.925 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.5 p -80.09 -30.26 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.45 111.105 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -71.98 -10.47 59.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.45 110.898 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -128.37 -70.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.55 110.901 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.572 ' CG2' HD13 ' A' ' 103' ' ' LEU . 20.5 mt 65.97 71.27 0.5 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.736 . . . . 0.44 111.129 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.541 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 54.0 Cg_endo -69.72 -23.77 30.58 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.668 2.245 . . . . 5.24 112.36 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.434 ' HA2' ' HB2' ' A' ' 103' ' ' LEU . . . 90.22 -65.58 2.83 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 2.4 112.527 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.435 ' HB2' ' HB3' ' A' ' 111' ' ' ASP . 1.9 t80 -61.08 136.1 57.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 4.41 110.843 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.53 72.25 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 4.43 110.883 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.483 ' HE2' ' HA ' ' A' ' 113' ' ' MET . 28.0 mmm -74.91 -12.49 60.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 5.14 110.818 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.567 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 1.7 p-10 -170.01 -177.38 2.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.53 110.847 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.737 ' HB1' HD13 ' A' ' 22' ' ' ILE . . . -79.63 -8.02 58.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.54 111.154 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.844 ' HB2' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -45.1 -29.56 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.45 110.907 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.592 HG21 ' OD2' ' A' ' 29' ' ' ASP . 55.4 m -75.92 -39.63 55.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.53 111.146 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.516 ' HA ' ' HG3' ' A' ' 32' ' ' GLN . 4.8 t60 -47.67 -56.52 7.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.51 110.845 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.97 -36.37 81.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.44 110.832 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.766 HD21 ' HD3' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -68.76 -20.91 64.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.45 110.893 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.411 ' HG3' ' CD ' ' A' ' 32' ' ' GLN . 0.2 OUTLIER -49.48 -15.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 5.12 110.873 179.818 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.411 ' N ' ' C ' ' A' ' 91' ' ' LEU . 1.8 mm100 -45.05 -26.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.53 110.948 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -144.51 -29.73 0.47 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.198 -0.455 . . . . 1.4 110.873 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.766 ' HD3' HD21 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -72.12 -1.53 15.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.44 110.929 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -51.29 -40.15 58.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 4.52 110.826 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.97 -28.74 69.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 4.44 110.884 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.68 HG23 ' CG2' ' A' ' 102' ' ' ILE . 2.7 p -133.42 105.61 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.4 111.145 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.9 t -107.54 -175.12 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.45 110.83 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 104' ' ' ASP . . . -47.04 -25.58 2.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.767 -0.73 . . . . 4.24 112.536 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -39.66 -67.35 0.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 5.52 110.81 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.68 ' CG2' HG23 ' A' ' 98' ' ' VAL . 0.6 OUTLIER -84.91 -39.78 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 4.35 111.176 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.572 HD13 ' CG2' ' A' ' 79' ' ' ILE . 86.7 mt -59.19 -59.62 5.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 4.14 110.92 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -59.72 -35.09 73.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 5.1 110.914 179.807 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.74 -46.04 70.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 4.42 110.841 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 35.2 mt -87.85 -51.47 5.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.437 . . . . 3.43 110.869 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.415 ' C ' ' N ' ' A' ' 109' ' ' PHE . 4.4 mm? -64.0 -7.1 7.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 4.53 110.914 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -47.41 -17.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 4.52 111.126 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.415 ' N ' ' C ' ' A' ' 107' ' ' LEU . 54.8 t80 -53.23 -27.12 20.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 5.41 110.873 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 110' ' ' THR . 8.5 t 177.42 81.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 5.2 111.103 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.435 ' HB3' ' HB2' ' A' ' 82' ' ' PHE . 8.7 p30 -52.53 172.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 4.11 110.889 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.541 ' HB2' ' CB ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -70.82 0.74 6.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.54 110.877 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.483 ' HA ' ' HE2' ' A' ' 84' ' ' MET . 50.6 ttp -38.93 -29.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 5.04 110.872 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 112' ' ' PHE . . . -62.51 -71.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 5.03 111.04 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -68.71 -28.65 67.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.53 110.892 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 120' ' ' THR . 0.8 OUTLIER -72.96 -32.94 65.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.51 110.943 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -47.32 -53.69 12.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.138 -0.483 . . . . 4.11 110.9 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -51.63 9.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.43 110.853 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -56.12 -57.99 9.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.998 0.428 . . . . 0.53 110.891 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 116' ' ' LYS . 35.1 m -52.58 -47.45 66.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.52 111.135 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -45.71 -40.9 9.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.54 110.84 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -76.41 -57.38 3.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.42 110.897 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.463 ' CZ ' HD11 ' A' ' 67' ' ' LEU . 8.2 mtp180 -54.27 -57.96 9.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.44 110.845 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.501 ' HB1' ' HG2' ' A' ' 129' ' ' ARG . . . -52.68 -63.45 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.42 111.169 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.401 ' HA ' ' HG3' ' A' ' 129' ' ' ARG . 0.2 OUTLIER -53.37 -24.49 12.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.55 110.874 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.58 -50.46 13.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.54 110.884 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -69.19 -13.65 62.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.53 110.959 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 95.52 39.85 4.33 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.712 -0.756 . . . . 0.34 112.428 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.501 ' HG2' ' HB1' ' A' ' 124' ' ' ALA . 0.1 OUTLIER -49.55 -26.07 3.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 4.12 110.864 -179.835 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 5.35 112.491 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.747 0.308 . . . . 0.54 111.069 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.84 84.12 1.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.51 110.879 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.16 -32.0 66.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.31 111.088 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -47.74 -56.49 7.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.41 110.901 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -50.89 -46.5 60.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.53 110.864 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.51 -37.61 87.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.51 110.912 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.404 HG21 ' SD ' ' A' ' 39' ' ' MET . 25.3 mm -60.97 -55.94 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.44 111.136 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.1 m -61.07 -38.65 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.51 111.115 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.3 mm -56.65 -56.52 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.44 111.12 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.95 -49.79 74.56 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.772 -0.728 . . . . 0.4 112.579 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.701 ' O ' HG23 ' A' ' 25' ' ' ILE . 20.3 m120 -63.22 -27.49 69.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 0.52 110.876 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.584 ' O ' HG13 ' A' ' 25' ' ' ILE . 1.6 mm -65.0 -43.82 96.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.54 111.134 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -68.31 -28.81 67.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.54 110.878 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.38 -49.44 9.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 5.43 110.858 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.091 HD13 ' HB3' ' A' ' 86' ' ' ALA . 2.9 pp -50.87 -24.96 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.51 111.151 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.622 ' N ' HD12 ' A' ' 25' ' ' ILE . 8.4 mt -48.54 -18.24 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.54 111.079 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.8 mtt -85.27 -32.11 22.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 5.31 110.868 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -149.35 140.94 23.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 5.53 110.838 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.774 ' HA ' ' HB2' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -79.11 -54.66 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.32 110.827 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.23 -50.66 8.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 5.34 110.829 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -49.03 -36.01 16.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 4.35 110.847 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.588 HE21 ' N ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -68.03 -38.65 82.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.51 110.929 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.588 ' N ' HE21 ' A' ' 32' ' ' GLN . 2.2 t60 -55.1 -43.62 74.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 5.2 110.86 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 mp -70.15 -56.75 6.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.246 -0.434 . . . . 74.54 110.951 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -56.67 -55.91 28.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.45 110.89 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 -51.02 -52.98 37.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 5.23 110.914 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.4 t -51.75 -38.27 54.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 5.44 110.874 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -62.52 -54.05 45.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 4.33 110.891 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.404 ' SD ' HG21 ' A' ' 17' ' ' ILE . 10.1 tpt -66.46 -30.99 71.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 5.14 110.895 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -62.11 -55.68 26.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 5.31 110.887 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -45.03 89.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 5.51 110.871 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -58.92 -41.36 87.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 5.33 110.919 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -74.0 -52.24 13.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 5.35 110.931 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -54.77 -30.1 55.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.509 . . . . 5.34 110.911 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.34 -17.27 58.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 5.4 110.876 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -119.28 -77.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 4.22 110.919 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -142.68 -172.8 3.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 5.32 110.895 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -122.46 -169.82 1.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 5.35 110.862 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.2 m -80.18 -163.43 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.44 110.858 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 65.06 19.86 11.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.12 -0.491 . . . . 0.45 110.917 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -142.58 136.02 28.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 4.21 110.901 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -174.38 -75.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.53 110.847 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.33 -165.31 2.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.51 110.859 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.33 -50.38 11.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.227 -0.442 . . . . 0.52 110.929 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 p -93.26 -27.27 16.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.42 110.849 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -71.37 -39.03 71.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.54 110.915 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.534 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 1.1 m -51.3 -57.56 13.68 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.587 0.708 . . . . 0.45 111.151 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 57' ' ' THR . 53.6 Cg_endo -69.78 -52.72 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.734 2.29 . . . . 0.45 112.288 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.1 mt -52.53 -39.22 28.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.55 111.174 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -71.57 -52.13 19.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.44 110.848 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -53.85 -53.84 46.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.41 110.896 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -57.08 -55.85 29.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.54 110.887 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.429 ' HA ' HD12 ' A' ' 66' ' ' ILE . 3.3 m-85 -51.23 -51.47 53.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.43 110.814 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.1 mm -62.65 -33.55 60.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.34 111.108 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -37.92 85.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.53 110.847 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 63' ' ' TYR . 5.6 mt -70.28 -52.46 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.55 111.111 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.527 HD23 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -57.88 -46.89 84.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.45 110.928 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.527 ' N ' HD23 ' A' ' 67' ' ' LEU . 15.6 pt-20 -67.44 -33.19 74.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.45 110.886 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.06 -55.75 30.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.54 110.851 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -63.77 -52.31 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.52 110.82 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.679 HD13 ' CZ ' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -54.35 -40.96 68.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.446 . . . . 0.53 110.904 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.594 ' CB ' HD21 ' A' ' 91' ' ' LEU . 20.9 tt0 -64.95 -46.53 81.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.43 110.86 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -58.66 -33.98 70.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.42 110.907 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -80.5 -50.08 10.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.45 110.902 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.768 HD13 ' HB ' ' A' ' 88' ' ' THR . 1.3 mt -63.65 -26.36 68.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.43 110.919 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.5 p -87.11 -35.32 8.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.41 111.107 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -88.83 2.63 53.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.52 110.833 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -96.12 -47.09 6.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.54 110.901 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 78' ' ' ARG . 0.8 OUTLIER 34.78 62.13 2.15 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.678 0.752 . . . . 0.44 111.103 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.56 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 53.8 Cg_endo -69.79 -34.06 15.25 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.73 2.287 . . . . 0.45 112.334 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.459 ' CA ' ' HB3' ' A' ' 103' ' ' LEU . . . 89.43 -24.16 15.54 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.775 -0.726 . . . . 4.32 112.522 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.774 ' CZ ' HG23 ' A' ' 110' ' ' THR . 0.0 OUTLIER -94.42 153.86 17.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 5.3 110.827 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -46.1 73.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.492 . . . . 5.13 110.882 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.758 ' N ' ' O ' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -83.28 -169.43 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.45 110.844 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -50.37 121.29 5.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.52 110.82 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 1.091 ' HB3' HD13 ' A' ' 25' ' ' ILE . . . -68.6 -8.55 42.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.22 111.094 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.679 ' CZ ' HD13 ' A' ' 71' ' ' LEU . 59.1 t80 -46.16 -29.02 1.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.45 110.926 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.768 ' HB ' HD13 ' A' ' 75' ' ' LEU . 2.9 t -58.13 -46.29 85.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.44 111.223 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.405 ' N ' HG23 ' A' ' 88' ' ' THR . 20.4 t-80 -59.93 -56.61 19.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.54 110.851 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.433 ' HB3' HD11 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -71.12 -10.95 60.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.5 110.888 -179.832 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.594 HD21 ' CB ' ' A' ' 72' ' ' GLU . 3.9 tp -75.52 -61.55 1.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.54 110.875 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -84.82 -87.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.5 110.899 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -135.56 -77.14 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 5.14 110.927 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -164.22 89.61 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 5.45 110.862 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.49 6.45 10.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.256 -0.429 . . . . 0.54 110.92 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -45.98 -44.25 14.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 3.41 110.915 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 98' ' ' VAL . 3.7 mt-10 -45.73 -30.48 1.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 5.42 110.875 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.517 ' O ' HG12 ' A' ' 98' ' ' VAL . 13.9 t -154.99 95.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 0.45 111.117 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.6 t -115.44 -177.84 3.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.43 110.817 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 104' ' ' ASP . . . -50.86 -18.42 2.77 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.717 -0.754 . . . . 4.14 112.426 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.86 -63.25 1.02 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.791 0.329 . . . . 4.41 110.901 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.64 HG23 ' H ' ' A' ' 103' ' ' LEU . 2.4 tt -63.73 -58.83 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 4.53 111.15 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.64 ' H ' HG23 ' A' ' 102' ' ' ILE . 4.3 mm? -52.96 -28.1 22.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 4.22 110.897 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' A' ' 100' ' ' GLY . 6.2 t70 -65.51 -41.81 92.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 4.44 110.909 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -37.75 67.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 5.1 110.85 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -88.79 -56.47 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 5.04 110.945 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 109' ' ' PHE . 0.2 OUTLIER -73.27 5.0 3.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 5.42 110.927 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.4 OUTLIER -40.63 -21.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 4.43 111.137 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 107' ' ' LEU . 19.1 t80 -43.84 -29.57 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 5.44 110.909 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.774 HG23 ' CZ ' ' A' ' 82' ' ' PHE . 1.1 t -151.86 77.44 1.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 3.42 111.142 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.546 ' O ' ' O ' ' A' ' 110' ' ' THR . 13.7 p-10 -43.42 178.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 5.03 110.877 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.522 ' N ' ' HB2' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -56.07 -9.95 0.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 5.32 110.853 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.12 -38.52 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 4.4 110.814 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.439 ' O ' ' HB3' ' A' ' 117' ' ' GLU . . . -79.55 -57.24 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 5.32 111.179 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.403 ' O ' ' HB2' ' A' ' 119' ' ' PHE . 22.8 t80 -57.39 -57.27 13.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.53 110.926 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 120' ' ' THR . 0.0 OUTLIER -56.72 -40.15 75.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 4.42 110.888 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.439 ' HB3' ' O ' ' A' ' 114' ' ' ALA . 5.8 tp10 -45.44 -59.07 2.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 5.02 110.854 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.82 -53.5 6.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.34 110.874 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.652 ' CZ ' HD23 ' A' ' 71' ' ' LEU . 1.4 t80 -53.22 -61.7 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.55 110.898 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.568 HG23 HG21 ' A' ' 26' ' ' ILE . 3.9 m -55.31 -44.24 75.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.44 111.08 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -48.06 -48.51 33.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.44 110.916 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.07 -56.35 4.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.44 110.905 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.536 ' HD2' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -50.33 -54.52 20.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.51 110.874 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.647 ' HB1' ' CG ' ' A' ' 129' ' ' ARG . . . -61.11 -64.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.55 111.102 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -48.26 -27.15 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.33 110.851 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.48 -49.49 66.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.187 -0.46 . . . . 0.44 110.898 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.22 -10.29 56.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.41 110.841 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.668 ' O ' ' C ' ' A' ' 129' ' ' ARG . . . 81.97 39.79 11.26 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.776 -0.725 . . . . 0.35 112.483 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.668 ' C ' ' O ' ' A' ' 128' ' ' GLY . 0.0 OUTLIER -6.26 -80.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.327 . . . . 0.52 110.911 -179.845 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.723 . . . . 0.42 112.497 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.755 0.312 . . . . 0.52 111.064 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -168.13 29.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.5 110.868 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.21 -48.13 45.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.53 111.127 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.36 -59.99 3.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.51 110.891 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -53.75 -39.06 65.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.51 110.903 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.1 -35.33 80.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.54 110.952 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.7 mm -63.07 -61.52 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.486 . . . . 0.55 111.122 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.727 HG13 ' HG2' ' A' ' 40' ' ' GLU . 1.1 m -59.55 -37.67 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.45 111.121 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.523 ' O ' HG22 ' A' ' 22' ' ' ILE . 4.4 mm -56.92 -58.89 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.5 111.123 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.86 -42.42 53.31 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.43 112.526 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.953 ' O ' HG23 ' A' ' 25' ' ' ILE . 3.2 m120 -58.42 -40.16 81.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.367 . . . . 0.5 110.912 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.667 HD12 ' HB3' ' A' ' 86' ' ' ALA . 2.5 tp -50.39 -40.11 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.55 111.142 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.907 ' O ' HD12 ' A' ' 26' ' ' ILE . 2.7 pt-20 -67.11 -26.39 66.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.52 110.821 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.539 ' O ' HD13 ' A' ' 26' ' ' ILE . 0.6 OUTLIER -92.1 -27.26 17.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.199 -0.455 . . . . 4.34 110.85 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.953 HG23 ' O ' ' A' ' 21' ' ' ASN . 1.2 pp -69.05 -20.19 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 1.01 111.152 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.907 HD12 ' O ' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -37.96 -28.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 3.13 111.155 179.876 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 25' ' ' ILE . 2.8 mtt -91.17 -36.13 14.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 5.43 110.865 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -174.68 114.96 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 4.41 110.831 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.637 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . 0.3 OUTLIER -87.64 -26.67 22.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 4.14 110.817 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -45.57 -55.78 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 5.3 110.885 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.405 ' O ' ' HB3' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -85.59 -56.79 3.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 72.53 110.863 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -48.23 -55.18 11.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 5.25 110.88 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.832 ' CG ' ' HB1' ' A' ' 86' ' ' ALA . 4.8 t60 -68.04 -38.79 82.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.54 110.863 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.434 ' CB ' ' O ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER -43.01 -55.97 3.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 23.21 110.872 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -77.02 -54.42 6.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 61.34 110.897 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -52.14 -63.57 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.54 110.891 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 33' ' ' HIS . 1.0 OUTLIER -54.5 -41.46 69.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.54 110.878 -179.792 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -49.66 -54.72 16.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 5.02 110.862 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 84.2 mtp -60.88 -51.44 69.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 4.52 110.888 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.727 ' HG2' HG13 ' A' ' 18' ' ' VAL . 5.1 tp10 -56.27 -34.38 66.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 4.24 110.929 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.413 ' HA ' ' HB2' ' A' ' 45' ' ' GLU . 13.6 mttt -67.93 -65.49 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 4.24 110.841 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -56.53 -16.78 6.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 4.31 110.908 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -78.51 -61.99 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 5.43 110.885 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.406 HD13 ' HB3' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -103.61 -48.14 4.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 2.42 110.942 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 41' ' ' LYS . 2.9 tm-20 -53.73 -23.42 11.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 4.32 110.877 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -65.81 -81.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 5.34 110.911 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -145.44 95.2 2.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 4.42 110.899 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.406 ' HB3' HD13 ' A' ' 44' ' ' LEU . 0.4 OUTLIER 179.38 -167.7 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 3.43 110.844 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.67 -170.37 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 3.34 110.844 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -48.08 -71.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.504 . . . . 0.43 110.887 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 47.77 86.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 3.25 110.894 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -148.89 -169.87 3.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.55 110.845 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -56.44 -179.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.45 110.927 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.02 -38.28 90.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.54 110.935 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.47 -29.19 15.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.54 110.892 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -71.79 -38.75 70.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.52 110.909 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.542 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 1.1 m -51.08 -57.6 13.28 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.59 0.71 . . . . 0.53 111.157 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 57' ' ' THR . 53.3 Cg_endo -69.81 -51.13 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.669 2.246 . . . . 0.55 112.281 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 22.8 mm -53.86 -35.28 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.53 111.134 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -74.06 -52.09 13.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.54 110.902 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.55 -48.1 80.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.43 110.813 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -62.14 -49.2 76.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.5 110.852 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.458 ' HA ' HD12 ' A' ' 66' ' ' ILE . 2.4 m-85 -52.65 -66.16 0.43 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.52 110.953 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.2 mm -50.78 -43.09 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.51 . . . . 0.43 111.127 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -62.14 -40.43 95.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.51 110.838 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 63' ' ' TYR . 11.6 mt -61.03 -57.27 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.43 111.17 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.6 HD21 ' CE1' ' A' ' 87' ' ' PHE . 2.1 tt -63.71 -36.46 83.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.44 110.912 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -56.47 -56.8 16.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.51 110.879 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -46.93 73.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.43 110.872 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -53.79 -53.32 53.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.264 -0.425 . . . . 0.5 110.861 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.567 HD13 ' CG ' ' A' ' 87' ' ' PHE . 19.6 mt -71.54 -29.0 64.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.51 110.887 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -56.34 -54.69 42.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.52 110.865 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.598 ' HA ' HG12 ' A' ' 76' ' ' VAL . 4.5 tp60 -75.62 -38.01 59.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.43 110.887 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.83 -46.6 88.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.33 110.906 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.667 HD23 ' N ' ' A' ' 88' ' ' THR . 0.5 OUTLIER -76.41 -60.02 2.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.51 110.815 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.598 HG12 ' HA ' ' A' ' 73' ' ' GLN . 2.4 p -48.01 -27.58 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.42 111.089 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.38 -37.53 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.53 110.898 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 79' ' ' ILE . 10.9 mmt-85 -128.12 -27.63 2.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.53 110.943 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.431 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.5 OUTLIER 36.37 55.01 2.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.629 0.728 . . . . 0.52 111.167 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.603 ' HG2' ' HE3' ' A' ' 84' ' ' MET . 53.7 Cg_endo -69.71 110.12 2.47 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.732 2.288 . . . . 0.33 112.352 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.536 ' HA3' ' HA ' ' A' ' 103' ' ' LEU . . . -29.97 -45.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.703 -0.76 . . . . 0.4 112.486 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.537 ' HB3' ' HB3' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -51.73 152.87 2.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 5.23 110.846 -179.865 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.422 ' H ' ' ND2' ' A' ' 83' ' ' ASN . 2.2 p30 -65.12 74.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 5.22 110.924 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.603 ' HE3' ' HG2' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -88.6 -12.9 41.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.52 110.936 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.453 ' N ' ' SD ' ' A' ' 84' ' ' MET . 0.5 OUTLIER 167.35 113.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.55 110.886 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.832 ' HB1' ' CG ' ' A' ' 33' ' ' HIS . . . -56.36 -21.26 23.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.5 111.116 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.6 ' CE1' HD21 ' A' ' 67' ' ' LEU . 4.6 m-85 -55.89 -52.72 63.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.42 110.866 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.667 ' N ' HD23 ' A' ' 75' ' ' LEU . 1.5 t -57.9 -29.81 65.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.53 111.089 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.486 ' HB2' ' O ' ' A' ' 86' ' ' ALA . 0.3 OUTLIER -64.26 -62.36 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.53 110.903 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.0 t -74.42 -18.8 60.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.5 110.813 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.449 ' CB ' ' O ' ' A' ' 87' ' ' PHE . 5.9 tp -79.1 -58.33 3.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.45 110.912 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.81 -84.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.53 110.913 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -132.66 -78.01 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 5.41 110.927 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -159.32 23.59 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 5.4 110.777 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.0 -15.72 2.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.44 110.863 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.443 ' CA ' ' HB3' ' A' ' 89' ' ' HIS . 4.2 p30 -49.65 -27.24 4.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 3.11 110.916 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.414 ' O ' ' HB ' ' A' ' 98' ' ' VAL . 0.3 OUTLIER -55.34 -55.28 33.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 4.52 110.888 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.414 ' HB ' ' O ' ' A' ' 97' ' ' GLU . 9.8 p 178.82 140.93 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 45.21 111.121 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.548 ' OG ' HG23 ' A' ' 102' ' ' ILE . 2.0 t -107.65 86.83 2.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 5.4 110.894 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -94.45 -68.18 1.04 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 3.15 112.394 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -64.88 -48.62 73.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 33.12 110.845 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.548 HG23 ' OG ' ' A' ' 99' ' ' SER . 2.2 tp -59.96 -37.01 70.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 3.4 111.127 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.805 HD13 ' N ' ' A' ' 104' ' ' ASP . 0.2 OUTLIER -57.09 -58.11 9.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 4.12 110.867 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.805 ' N ' HD13 ' A' ' 103' ' ' LEU . 0.3 OUTLIER -70.58 -37.08 73.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 5.24 110.805 179.859 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.574 ' O ' HG22 ' A' ' 108' ' ' THR . 6.0 mtt -59.0 -46.68 87.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 5.03 110.837 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.457 ' HB2' ' H ' ' A' ' 81' ' ' GLY . 4.3 mm? -84.26 -48.85 9.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 5.25 110.869 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.635 HD13 ' C ' ' A' ' 107' ' ' LEU . 1.8 tm? -45.24 -35.17 3.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 5.52 110.925 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 105' ' ' MET . 11.8 t -43.5 -43.25 5.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 5.11 111.132 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.466 ' N ' HG23 ' A' ' 108' ' ' THR . 0.3 OUTLIER -130.91 -54.04 1.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 4.34 110.885 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.584 ' O ' HG22 ' A' ' 110' ' ' THR . 1.3 m -96.16 99.94 11.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 4.43 111.146 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.464 ' HB3' HD22 ' A' ' 107' ' ' LEU . 53.0 p-10 -109.57 156.58 19.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 5.51 110.892 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.537 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -57.24 -17.46 11.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 5.43 110.913 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 9.6 ttt -38.38 -50.02 1.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 5.13 110.892 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.436 ' O ' ' HB3' ' A' ' 117' ' ' GLU . . . -78.52 -55.0 5.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 1.22 111.081 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -63.63 1.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.42 110.904 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -50.13 -40.26 45.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 4.41 110.916 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.436 ' HB3' ' O ' ' A' ' 114' ' ' ALA . 7.7 tp10 -46.69 -59.87 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 4.4 110.856 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -79.73 -52.33 8.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.54 110.877 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -52.33 -61.53 2.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.45 110.89 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.452 ' CB ' ' O ' ' A' ' 116' ' ' LYS . 4.3 m -55.62 -44.99 77.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.54 111.107 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -51.78 -42.14 62.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.52 110.848 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -79.43 -57.05 3.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.45 110.906 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -45.05 56.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.53 110.909 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.603 ' HB1' ' CG ' ' A' ' 129' ' ' ARG . . . -69.4 -63.95 0.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.53 111.071 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.406 ' HA ' ' HB2' ' A' ' 129' ' ' ARG . 0.7 OUTLIER -48.8 -24.87 1.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.45 110.882 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.5 ttmm -67.79 -49.91 59.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.154 -0.475 . . . . 0.54 110.843 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -72.59 -14.22 61.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.34 110.881 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 112.3 40.59 1.13 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.667 -0.778 . . . . 0.5 112.489 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.603 ' CG ' ' HB1' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -38.36 -60.5 0.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.822 0.344 . . . . 3.34 110.863 -179.808 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 0.44 112.555 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.487 -0.245 . . . . 0.41 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -171.03 38.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.341 . . . . 0.54 110.846 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -136.45 172.85 12.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.41 110.853 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -174.5 109.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.54 110.871 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -178.92 165.72 1.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.51 110.807 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -120.23 148.34 43.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.54 110.845 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -179.35 -170.69 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.52 110.88 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.481 HD12 ' CE1' ' A' ' 56' ' ' TYR . 1.1 tt 63.3 161.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.43 110.91 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.31 -74.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.45 110.871 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -51.06 -33.11 24.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.52 110.865 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.545 ' HB1' ' OD1' ' A' ' 52' ' ' ASN . . . -65.74 -56.06 14.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.51 111.119 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -122.1 82.88 2.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.5 110.875 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.46 -50.17 73.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.42 111.076 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.437 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.0 pp20? -50.66 -40.97 54.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.51 110.928 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.426 ' CE1' HD11 ' A' ' 64' ' ' ILE . 26.4 t80 -57.88 -55.63 32.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.4 110.845 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -58.72 -33.6 70.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.44 110.871 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 14' ' ' GLU . 88.4 mt -62.59 -57.12 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.53 111.106 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.4 m -63.35 -34.69 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.54 111.17 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.6 mm -59.54 -56.24 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.55 111.115 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.98 -52.01 55.9 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.44 112.514 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.648 ' O ' HG23 ' A' ' 25' ' ' ILE . 63.9 m-80 -61.96 -27.35 68.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.54 110.888 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.584 ' O ' HG13 ' A' ' 25' ' ' ILE . 0.8 OUTLIER -64.91 -47.61 87.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.44 111.133 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.423 ' C ' HG12 ' A' ' 26' ' ' ILE . 0.7 OUTLIER -63.75 -29.33 70.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.54 110.927 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -82.52 -47.88 11.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 5.33 110.859 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.031 HD13 ' HB3' ' A' ' 86' ' ' ALA . 2.8 pp -58.47 -18.52 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.51 111.121 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.733 ' CG2' HG23 ' A' ' 120' ' ' THR . 50.1 mm -42.62 -27.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.53 111.111 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -95.34 -31.03 13.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 4.12 110.891 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 25' ' ' ILE . 13.6 mt-10 -132.4 126.25 32.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 5.32 110.875 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.967 ' HA ' ' HB2' ' A' ' 86' ' ' ALA . 2.6 m-20 -78.94 -47.11 17.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 3.13 110.892 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -47.01 -44.12 20.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 5.03 110.887 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.57 ' HB3' HG22 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -49.26 -41.75 38.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 5.43 110.901 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.688 ' HB2' HG21 ' A' ' 25' ' ' ILE . 1.5 tt0 -68.77 -41.33 78.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.54 110.892 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -50.24 -44.34 53.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 5.41 110.832 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.68 -57.73 3.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 71.22 110.897 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -54.71 -57.16 12.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 3.21 110.918 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -52.05 -51.59 56.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 4.41 110.904 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.0 t -51.28 -38.41 52.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 4.35 110.833 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -65.44 -53.61 40.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 5.51 110.888 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -35.92 80.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 5.02 110.878 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.426 ' O ' HD23 ' A' ' 44' ' ' LEU . 30.4 tt0 -61.37 -55.02 36.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 5.42 110.874 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -59.04 -46.74 87.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 3.21 110.913 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.05 -50.35 73.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 4.55 110.937 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -61.3 -55.44 31.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 5.55 110.945 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 40' ' ' GLU . 4.2 mm? -57.34 -29.4 63.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 5.51 110.925 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -91.98 14.31 16.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 5.45 110.873 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -135.65 -79.86 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 5.32 110.893 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -143.29 -172.55 3.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 5.42 110.84 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.45 -169.03 2.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 4.24 110.862 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.7 m -69.26 -164.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.52 110.875 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 63.82 21.86 12.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.45 110.874 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 57' ' ' THR . 0.1 OUTLIER -94.15 -163.33 1.03 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 3.15 110.924 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.545 ' OD1' ' HB1' ' A' ' 11' ' ' ALA . 3.4 m-80 70.88 -173.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.55 110.835 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -169.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.54 110.91 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.5 mp -81.45 -21.43 38.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.53 110.89 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.92 -36.51 14.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.54 110.851 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.481 ' CE1' HD12 ' A' ' 8' ' ' LEU . 18.3 m-85 -69.05 -33.57 73.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.54 110.904 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.491 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -51.15 -59.96 6.63 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.543 0.687 . . . . 0.54 111.157 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 57' ' ' THR . 53.5 Cg_endo -69.79 -51.15 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.54 112.315 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.8 mt -52.64 -40.19 33.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.44 111.137 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -71.67 -51.72 21.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.44 110.869 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -55.28 -51.0 68.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.44 110.924 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -57.6 -57.37 13.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.43 110.923 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.635 ' HA ' HD12 ' A' ' 66' ' ' ILE . 1.6 m-85 -50.78 -63.04 1.25 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.44 110.921 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.426 HD11 ' CE1' ' A' ' 15' ' ' PHE . 37.5 mm -52.19 -44.13 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.44 111.103 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -60.87 -36.74 79.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.54 110.924 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.635 HD12 ' HA ' ' A' ' 63' ' ' TYR . 12.0 mt -64.27 -57.1 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.33 111.14 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.576 ' HG ' HD12 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -63.94 -49.82 71.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.42 110.907 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -54.48 -42.09 70.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.5 110.892 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -54.96 31.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.53 110.941 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -58.48 -52.34 66.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.53 110.88 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.684 HD22 ' CG ' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -62.67 -30.76 71.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.45 110.932 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.521 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.5 tm-20 -61.61 -54.52 41.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.45 110.892 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -62.48 -38.66 90.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.44 110.885 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.89 -50.83 61.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.44 110.873 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.807 HD12 ' HB ' ' A' ' 88' ' ' THR . 3.5 mm? -62.67 -40.03 95.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.52 110.906 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 72' ' ' GLU . 25.6 t -60.99 -51.06 77.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.31 111.12 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -83.76 2.73 36.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.41 110.875 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.45 ' HB2' ' HA ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -68.0 -69.86 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.55 110.859 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.437 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 16.7 mt 39.21 54.88 5.36 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.65 0.738 . . . . 0.52 111.109 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.445 ' HB3' ' CG ' ' A' ' 115' ' ' PHE . 53.8 Cg_endo -69.78 -49.38 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.709 2.273 . . . . 1.42 112.357 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.595 ' O ' ' HA2' ' A' ' 100' ' ' GLY . . . 126.59 -70.83 0.49 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 2.12 112.478 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.749 ' O ' ' N ' ' A' ' 84' ' ' MET . 4.0 t80 -79.22 153.69 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.883 0.373 . . . . 4.52 110.854 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -41.42 77.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 4.33 110.904 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.749 ' N ' ' O ' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -78.39 -66.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.55 110.9 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.461 ' CG ' HD11 ' A' ' 75' ' ' LEU . 11.3 p30 -148.23 132.79 17.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.41 110.899 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 1.031 ' HB3' HD13 ' A' ' 25' ' ' ILE . . . -75.06 -9.7 58.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.43 111.096 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.684 ' CG ' HD22 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -45.38 -31.18 1.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.45 110.892 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.807 ' HB ' HD12 ' A' ' 75' ' ' LEU . 8.2 t -62.8 -43.67 98.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.42 111.146 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.444 ' N ' HG23 ' A' ' 88' ' ' THR . 31.8 t-80 -58.62 -54.78 43.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.52 110.845 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.9 t -75.29 -13.28 60.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.42 110.87 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.3 tp -71.19 -64.44 0.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.51 110.933 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -87.8 -85.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.53 110.863 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -133.12 -73.51 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 4.1 110.922 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -161.93 112.78 1.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 5.15 110.87 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.561 ' HE3' HG21 ' A' ' 88' ' ' THR . 0.0 OUTLIER -84.86 1.0 49.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.44 110.886 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -50.57 -40.55 52.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 4.42 110.883 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -53.29 -29.94 35.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 4.51 110.861 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 98' ' ' VAL . 15.9 m -153.37 97.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.51 111.131 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.2 t -116.23 -164.69 0.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 4.44 110.839 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.595 ' HA2' ' O ' ' A' ' 81' ' ' GLY . . . -39.97 -32.25 0.35 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.697 -0.763 . . . . 5.24 112.509 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.1 -67.35 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 5.02 110.85 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.55 HG23 HD22 ' A' ' 103' ' ' LEU . 1.1 tt -81.24 -41.58 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 4.45 111.171 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.55 HD22 HG23 ' A' ' 102' ' ' ILE . 3.9 mm? -52.28 -60.96 2.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 4.2 110.957 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.498 ' HB3' ' O ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -60.78 -30.41 70.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 5.54 110.896 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.41 -56.66 11.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 4.53 110.85 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.3 mp -90.34 -44.34 9.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 5.45 110.913 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.448 ' HB3' ' HA3' ' A' ' 81' ' ' GLY . 0.0 OUTLIER -70.23 0.23 6.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 3.52 110.891 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -41.54 -25.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 5.41 111.096 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 107' ' ' LEU . 85.7 t80 -48.62 -26.57 2.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 5.42 110.91 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 110' ' ' THR . 7.6 t -157.22 67.39 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 4.43 111.147 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -50.29 178.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 4.44 110.902 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -60.13 -12.41 8.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 5.5 110.874 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -37.98 -57.02 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 5.01 110.909 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 117' ' ' GLU . . . -79.67 -54.41 5.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 4.32 111.101 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.445 ' CG ' ' HB3' ' A' ' 80' ' ' PRO . 42.9 m-85 -51.74 -61.5 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.54 110.865 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -57.67 -36.12 71.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 5.4 110.905 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 114' ' ' ALA . 2.0 mm-40 -44.94 -62.09 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 3.41 110.904 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.53 -49.74 10.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.53 110.852 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -53.55 -60.41 3.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.51 110.886 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.733 HG23 ' CG2' ' A' ' 26' ' ' ILE . 6.8 m -56.11 -45.82 79.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.41 111.159 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -48.88 -45.43 41.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.44 110.884 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -78.87 -57.42 3.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.52 110.911 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -50.82 -56.63 11.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.53 110.833 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.631 ' HB1' ' CG ' ' A' ' 129' ' ' ARG . . . -57.44 -64.01 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.51 111.107 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.418 ' HA ' ' HB2' ' A' ' 129' ' ' ARG . 6.9 tt0 -49.89 -24.4 2.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.53 110.894 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -78.31 -49.27 13.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.54 110.912 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -68.09 -14.63 63.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.52 110.9 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 112.51 40.68 1.1 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 0.44 112.511 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.631 ' CG ' ' HB1' ' A' ' 124' ' ' ALA . 1.7 tmt_? -39.23 -61.85 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.786 0.326 . . . . 4.05 110.85 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.793 -0.717 . . . . 0.45 112.53 -179.943 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.488 -0.245 . . . . 0.32 112.488 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -165.21 70.87 0.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.813 0.34 . . . . 0.42 110.833 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -159.15 126.66 4.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.51 110.881 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -172.87 107.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.44 110.9 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -123.66 71.24 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.53 110.9 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.8 m-70 -152.28 -74.38 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.44 110.89 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 52.1 m170 -91.64 89.43 7.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.53 110.866 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -179.56 -33.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.55 110.902 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.86 60.66 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.54 110.939 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -144.1 15.92 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.55 110.904 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -135.41 -41.01 0.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.34 111.173 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -147.4 78.31 1.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.55 110.934 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.61 -51.05 70.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.45 111.073 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.779 ' HA ' HD12 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -50.22 -46.93 55.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 2.31 110.945 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.626 ' CE1' HD11 ' A' ' 64' ' ' ILE . 11.4 t80 -51.39 -48.11 62.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.53 110.825 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -64.68 -36.77 85.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.44 110.856 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.779 HD12 ' HA ' ' A' ' 14' ' ' GLU . 61.7 mt -61.46 -56.5 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.52 111.125 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.2 m -59.15 -40.36 80.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.45 111.16 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.1 mm -56.24 -55.35 19.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.53 111.147 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.99 -51.46 58.16 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.74 -0.743 . . . . 0.42 112.531 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.737 ' O ' HG23 ' A' ' 25' ' ' ILE . 60.7 m-20 -60.22 -30.35 69.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.785 0.326 . . . . 0.34 110.889 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.642 HD12 ' HD1' ' A' ' 87' ' ' PHE . 2.2 mm -64.68 -41.34 91.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.53 111.142 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.95 ' O ' HD12 ' A' ' 26' ' ' ILE . 11.2 mt-10 -70.2 -23.01 62.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.44 110.909 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.404 ' O ' HD13 ' A' ' 26' ' ' ILE . 5.0 t0 -91.24 -37.37 13.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 5.24 110.9 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.937 HD13 ' HB3' ' A' ' 86' ' ' ALA . 2.7 pp -66.77 -18.53 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.52 111.112 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.95 HD12 ' O ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -44.8 -18.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.54 111.147 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.533 ' N ' HD13 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -88.19 -32.91 18.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 4.51 110.843 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 25' ' ' ILE . 1.4 mt-10 -142.45 140.53 31.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.232 -0.44 . . . . 4.54 110.829 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 1.009 ' HA ' ' HB2' ' A' ' 86' ' ' ALA . 2.1 t70 -76.61 -56.85 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.43 110.898 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -44.98 -36.88 3.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 4.32 110.949 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.461 ' HB3' HG22 ' A' ' 25' ' ' ILE . 2.3 m-85 -50.37 -50.38 51.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 4.41 110.886 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.808 ' HB3' ' HB1' ' A' ' 86' ' ' ALA . 3.3 tp-100 -68.18 -37.26 80.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.44 110.951 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -50.48 -46.31 56.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 5.41 110.866 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.92 -55.43 7.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 4.45 110.904 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -53.08 -57.0 11.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.5 110.926 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -36.96 72.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 3.21 110.905 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.16 -42.4 90.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 5.32 110.851 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -66.2 -54.36 26.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 5.31 110.885 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.652 ' SD ' HG21 ' A' ' 17' ' ' ILE . 1.7 mpp? -61.34 -36.45 80.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 4.43 110.888 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -62.14 -49.29 76.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 4.32 110.839 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -61.06 -54.25 47.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.492 . . . . 5.34 110.895 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -58.27 -48.9 78.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 5.41 110.942 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -60.25 -57.42 12.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.151 -0.477 . . . . 5.54 110.915 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.56 -23.49 58.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 5.55 110.993 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -93.35 14.66 17.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 5.41 110.877 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -152.43 -78.81 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 5.01 110.888 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.77 -176.18 3.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.498 . . . . 4.43 110.884 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -143.61 -167.11 2.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 5.21 110.875 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.74 -161.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 3.33 110.884 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.522 ' O ' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER -73.84 62.33 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.53 110.924 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -135.34 61.72 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 5.54 110.879 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -172.78 34.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 4.33 110.93 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -165.09 155.2 13.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.54 110.89 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.4 mp -85.32 -61.71 1.7 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.44 110.923 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.8 p -95.45 -28.08 15.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.42 110.873 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.92 -37.8 72.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.53 110.921 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.533 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 1.2 m -52.04 -57.85 13.51 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.573 0.701 . . . . 0.33 111.14 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 57' ' ' THR . 54.4 Cg_endo -69.76 -52.27 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.629 2.219 . . . . 0.52 112.364 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.2 mm -52.78 -38.71 28.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.44 111.183 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -71.99 -51.7 20.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.42 110.865 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -56.71 -53.29 59.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.43 110.861 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -56.38 -57.37 12.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.41 110.927 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -50.98 -65.38 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.55 110.986 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.626 HD11 ' CE1' ' A' ' 15' ' ' PHE . 44.1 mm -50.35 -42.11 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.44 111.129 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -61.24 -45.29 95.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.35 110.829 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.5 mt -57.79 -57.84 8.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.33 111.097 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.35 -24.14 67.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.143 -0.481 . . . . 0.44 110.892 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.531 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -68.09 -56.3 9.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.5 110.85 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -49.12 74.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.55 110.836 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -55.95 -53.04 61.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.4 110.913 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.727 HD21 ' HB2' ' A' ' 87' ' ' PHE . 9.7 tt -67.5 -31.95 72.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.44 110.924 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -57.22 -53.05 62.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.44 110.864 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.532 ' HA ' HG12 ' A' ' 76' ' ' VAL . 6.3 tt0 -74.3 -31.2 62.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.44 110.973 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.69 -43.25 84.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.52 110.933 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.543 HD12 ' HB2' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -76.86 -50.28 13.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.53 110.921 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.532 HG12 ' HA ' ' A' ' 73' ' ' GLN . 2.3 p -54.2 -34.41 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.53 111.08 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.55 2.2 56.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.52 110.906 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 79' ' ' ILE . 0.3 OUTLIER -82.09 -50.76 8.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.45 110.9 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 78' ' ' ARG . 1.2 tt 36.47 63.42 2.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.61 0.719 . . . . 0.54 111.096 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.404 ' HD3' ' HB3' ' A' ' 78' ' ' ARG . 53.9 Cg_endo -69.7 -49.09 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.257 . . . . 2.32 112.371 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.591 ' O ' ' HA2' ' A' ' 100' ' ' GLY . . . 123.58 -69.56 0.46 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.768 -0.73 . . . . 5.42 112.597 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.768 ' O ' ' N ' ' A' ' 84' ' ' MET . 65.8 t80 -67.17 155.6 38.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.809 0.338 . . . . 4.11 110.916 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -43.99 74.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 5.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.768 ' N ' ' O ' ' A' ' 82' ' ' PHE . 4.6 tpt -145.28 83.2 1.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.55 110.853 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.815 ' O ' HG22 ' A' ' 88' ' ' THR . 1.5 p30 171.56 47.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.54 110.876 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 1.009 ' HB2' ' HA ' ' A' ' 29' ' ' ASP . . . -77.71 -26.25 49.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.44 111.11 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.727 ' HB2' HD21 ' A' ' 71' ' ' LEU . 6.5 m-85 -53.31 -40.54 64.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.42 110.906 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.815 HG22 ' O ' ' A' ' 85' ' ' ASP . 10.1 t -62.69 -32.69 73.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.51 111.109 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -64.95 -60.07 3.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.42 110.885 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.63 -13.62 61.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.54 110.815 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.573 HD23 ' N ' ' A' ' 92' ' ' LYS . 0.6 OUTLIER -75.25 -63.7 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.44 110.933 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.573 ' N ' HD23 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -87.96 -86.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.43 110.823 179.836 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -135.1 -74.4 0.46 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.291 -0.413 . . . . 4.4 110.935 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -161.21 113.65 1.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 4.42 110.858 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.61 ' HE2' HG21 ' A' ' 88' ' ' THR . 0.0 OUTLIER -87.35 3.64 46.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.42 110.907 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -47.94 -37.74 15.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 4.23 110.826 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -48.29 -32.33 7.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 3.32 110.906 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 98' ' ' VAL . 15.5 m -153.06 93.23 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.482 . . . . 0.54 111.101 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.3 t -117.04 -166.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.52 110.804 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.591 ' HA2' ' O ' ' A' ' 81' ' ' GLY . . . -42.42 -29.79 0.75 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.77 -0.729 . . . . 3.23 112.452 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -47.7 -66.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 5.34 110.916 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 103' ' ' LEU . 9.7 tt -78.37 -39.48 24.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 4.02 111.158 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.433 ' HB3' ' HA2' ' A' ' 81' ' ' GLY . 0.6 OUTLIER -54.89 -59.16 5.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 3.33 110.907 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 81' ' ' GLY . 0.0 OUTLIER -58.19 -32.04 67.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 5.44 110.876 179.834 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.7 ttt -50.99 -57.38 8.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 3.51 110.926 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.2 mt -90.52 -45.06 9.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 4.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 103' ' ' LEU . 0.1 OUTLIER -68.34 -1.34 6.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 5.31 110.887 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -41.57 -26.62 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 5.3 111.15 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 107' ' ' LEU . 74.2 t80 -50.15 -25.83 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 5.21 110.939 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.6 t -158.51 67.43 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 5.55 111.048 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.45 ' HB2' ' HB2' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -49.67 178.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 4.34 110.905 179.852 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.518 ' CD1' ' HB3' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -56.45 -12.74 1.84 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.242 -0.436 . . . . 5.41 110.895 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.414 ' N ' ' CD1' ' A' ' 112' ' ' PHE . 0.7 OUTLIER -37.31 -57.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 4.42 110.886 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' A' ' 117' ' ' GLU . . . -80.28 -52.84 7.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 5.12 111.083 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -52.93 -61.53 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 2.32 110.89 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -57.24 -39.32 75.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 5.41 110.901 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.493 ' HB3' ' O ' ' A' ' 114' ' ' ALA . 4.0 tt0 -44.88 -60.85 1.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 5.12 110.924 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -80.62 -50.2 10.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.126 -0.488 . . . . 1.51 110.865 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -54.02 -61.21 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.43 110.923 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.436 ' CB ' ' O ' ' A' ' 116' ' ' LYS . 4.2 m -56.22 -45.46 79.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.44 111.154 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -50.77 -42.5 57.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.51 110.8 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -79.08 -57.16 3.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.45 110.94 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -50.93 -48.49 60.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.43 110.913 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.628 ' HB1' ' CG ' ' A' ' 129' ' ' ARG . . . -65.97 -64.91 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.45 111.025 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.408 ' HA ' ' HB2' ' A' ' 129' ' ' ARG . 30.0 tt0 -49.72 -24.8 2.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.51 110.877 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.72 -49.6 61.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.32 110.855 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.47 -14.24 61.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.43 110.835 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 112.45 40.74 1.1 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.753 -0.737 . . . . 0.24 112.479 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.628 ' CG ' ' HB1' ' A' ' 124' ' ' ALA . 0.1 OUTLIER -37.05 -55.35 0.94 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.885 0.374 . . . . 4.32 110.853 -179.875 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.43 112.524 -179.936 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.458 -0.257 . . . . 41.52 112.458 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -171.16 98.93 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 31.43 110.872 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -146.72 150.72 35.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 4.2 110.868 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -101.31 -169.96 1.77 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.243 -0.435 . . . . 4.44 110.843 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -169.11 95.25 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 4.34 110.836 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.52 -172.27 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 5.03 110.871 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -51.89 153.16 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 3.12 110.853 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -179.88 -31.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.53 110.856 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -76.28 58.43 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 4.41 110.853 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -141.21 10.83 2.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.53 110.909 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -143.19 12.99 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.32 111.061 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.6 t70 63.87 95.73 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.53 110.838 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.42 -30.58 64.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.52 111.064 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.82 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.1 tt0 -48.86 -59.32 3.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.54 110.943 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.417 ' CE1' HD11 ' A' ' 64' ' ' ILE . 11.8 t80 -52.94 -38.39 61.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.4 110.899 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -68.41 -38.12 80.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.52 110.891 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.82 HD12 ' HA ' ' A' ' 14' ' ' GLU . 10.9 mt -63.39 -57.81 10.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.55 111.138 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 14' ' ' GLU . 1.7 m -61.31 -37.11 76.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.51 111.107 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.0 mm -58.32 -55.46 22.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.45 111.166 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.31 -46.46 93.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.42 112.522 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.457 ' O ' HG22 ' A' ' 25' ' ' ILE . 84.3 m-20 -66.1 -24.69 66.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.34 110.847 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.737 HD13 ' HB1' ' A' ' 86' ' ' ALA . 1.1 mm -72.22 -42.87 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.44 111.158 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.969 ' O ' HD12 ' A' ' 26' ' ' ILE . 4.6 pt-20 -70.5 -24.56 62.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.55 110.883 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.57 ' O ' HD13 ' A' ' 26' ' ' ILE . 12.7 m-20 -92.04 -41.35 10.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 3.52 110.875 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.557 HG22 ' HA ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -53.65 -27.46 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.51 111.099 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.969 HD12 ' O ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -47.27 -18.89 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 4.31 111.133 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.657 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.6 mmm -91.32 -32.08 15.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 5.42 110.932 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.483 ' O ' HG12 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -163.36 128.47 3.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 4.21 110.879 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.592 ' OD2' HG21 ' A' ' 88' ' ' THR . 13.8 m-20 -67.79 -30.62 70.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.5 110.849 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -45.23 -46.65 12.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 4.43 110.877 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -55.9 -34.79 65.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 5.41 110.795 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.516 ' HG3' ' HA ' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -63.14 -41.82 99.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.5 110.902 -179.854 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -55.22 -46.84 75.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 5.52 110.849 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.57 -55.98 12.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 3.41 110.854 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -54.39 -55.45 28.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 1.13 110.933 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -48.98 -54.33 16.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 5.51 110.886 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.2 t -54.07 -33.13 56.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 4.52 110.914 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -60.71 -54.35 46.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.507 . . . . 4.32 110.915 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.634 ' SD ' HG21 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -71.14 -38.66 72.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 4.21 110.881 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.74 -50.98 62.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 5.11 110.938 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -71.96 -45.84 59.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 5.23 110.87 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -53.42 -42.83 67.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.279 -0.419 . . . . 4.11 110.928 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -73.75 -50.57 20.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.089 -0.505 . . . . 4.43 110.98 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -56.02 -23.92 36.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 4.41 110.893 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -59.51 -40.56 87.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 4.41 110.892 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -179.73 -34.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.074 -0.512 . . . . 5.4 110.899 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.14 151.91 4.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 3.34 110.891 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -114.38 174.8 5.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 4.21 110.81 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.6 m -121.42 -163.12 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.15 110.817 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.503 ' O ' HG23 ' A' ' 57' ' ' THR . 0.4 OUTLIER 68.19 22.21 8.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 0.52 110.876 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 51.63 -169.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.54 110.876 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -140.2 38.0 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.52 110.915 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.05 179.22 4.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.44 110.919 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.6 mt -84.7 -60.92 1.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.42 110.942 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.34 -25.39 16.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.22 110.87 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.568 ' HA ' HG22 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -72.6 -34.9 67.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.51 110.954 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.583 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 1.2 m -57.71 -55.55 43.62 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.546 0.688 . . . . 0.5 111.127 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 57' ' ' THR . 53.0 Cg_endo -69.75 -52.64 0.31 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.62 2.214 . . . . 0.44 112.337 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.568 HG22 ' HA ' ' A' ' 56' ' ' TYR . 8.6 tt -53.63 -34.28 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.35 111.101 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -73.65 -53.28 10.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.44 110.881 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -58.54 -52.25 66.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.55 110.971 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -55.92 -50.47 70.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.52 110.915 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.581 ' HA ' HD12 ' A' ' 66' ' ' ILE . 2.5 m-85 -51.57 -55.98 16.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.55 110.872 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.417 HD11 ' CE1' ' A' ' 15' ' ' PHE . 49.4 mm -61.6 -36.96 76.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.5 111.094 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.04 -36.35 81.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.5 110.919 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 63' ' ' TYR . 8.8 mt -65.79 -55.27 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.51 111.088 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.508 HD23 ' C ' ' A' ' 67' ' ' LEU . 5.9 tt -61.9 -48.89 78.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.52 110.954 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -58.84 -36.81 75.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.43 110.872 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -63.66 -61.59 2.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 0.55 110.935 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -52.48 61.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.53 110.906 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.517 HD21 ' O ' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -52.26 -66.95 0.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.53 110.962 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -45.29 -44.94 11.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.54 110.9 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -53.68 -47.1 70.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.54 110.885 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -72.44 -42.91 64.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.53 110.92 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.844 HD21 ' HB2' ' A' ' 87' ' ' PHE . 3.5 mm? -49.91 -48.25 51.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.31 110.925 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.5 p -80.09 -30.26 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.45 111.105 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -71.98 -10.47 59.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.45 110.898 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -128.37 -70.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.55 110.901 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.572 ' CG2' HD13 ' A' ' 103' ' ' LEU . 20.5 mt 65.97 71.27 0.5 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.736 . . . . 0.44 111.129 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.541 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 54.0 Cg_endo -69.72 -23.77 30.58 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.668 2.245 . . . . 5.24 112.36 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.434 ' HA2' ' HB2' ' A' ' 103' ' ' LEU . . . 90.22 -65.58 2.83 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 2.4 112.527 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.435 ' HB2' ' HB3' ' A' ' 111' ' ' ASP . 1.9 t80 -61.08 136.1 57.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 4.41 110.843 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.53 72.25 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 4.43 110.883 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.483 ' HE2' ' HA ' ' A' ' 113' ' ' MET . 28.0 mmm -74.91 -12.49 60.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 5.14 110.818 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.567 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 1.7 p-10 -170.01 -177.38 2.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.53 110.847 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.737 ' HB1' HD13 ' A' ' 22' ' ' ILE . . . -79.63 -8.02 58.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.54 111.154 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.844 ' HB2' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -45.1 -29.56 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.45 110.907 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.592 HG21 ' OD2' ' A' ' 29' ' ' ASP . 55.4 m -75.92 -39.63 55.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.53 111.146 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.516 ' HA ' ' HG3' ' A' ' 32' ' ' GLN . 4.8 t60 -47.67 -56.52 7.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.51 110.845 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.97 -36.37 81.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.44 110.832 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.766 HD21 ' HD3' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -68.76 -20.91 64.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.45 110.893 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.411 ' HG3' ' CD ' ' A' ' 32' ' ' GLN . 0.2 OUTLIER -49.48 -15.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 5.12 110.873 179.818 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.411 ' N ' ' C ' ' A' ' 91' ' ' LEU . 1.8 mm100 -45.05 -26.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.53 110.948 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -144.51 -29.73 0.47 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.198 -0.455 . . . . 1.4 110.873 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.766 ' HD3' HD21 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -72.12 -1.53 15.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.44 110.929 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -51.29 -40.15 58.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 4.52 110.826 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.97 -28.74 69.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 4.44 110.884 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.68 HG23 ' CG2' ' A' ' 102' ' ' ILE . 2.7 p -133.42 105.61 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.4 111.145 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.9 t -107.54 -175.12 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.45 110.83 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 104' ' ' ASP . . . -47.04 -25.58 2.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.767 -0.73 . . . . 4.24 112.536 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -39.66 -67.35 0.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 5.52 110.81 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.68 ' CG2' HG23 ' A' ' 98' ' ' VAL . 0.6 OUTLIER -84.91 -39.78 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 4.35 111.176 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.572 HD13 ' CG2' ' A' ' 79' ' ' ILE . 86.7 mt -59.19 -59.62 5.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 4.14 110.92 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -59.72 -35.09 73.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 5.1 110.914 179.807 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.74 -46.04 70.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 4.42 110.841 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 35.2 mt -87.85 -51.47 5.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.437 . . . . 3.43 110.869 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.415 ' C ' ' N ' ' A' ' 109' ' ' PHE . 4.4 mm? -64.0 -7.1 7.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 4.53 110.914 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -47.41 -17.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 4.52 111.126 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.415 ' N ' ' C ' ' A' ' 107' ' ' LEU . 54.8 t80 -53.23 -27.12 20.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 5.41 110.873 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 110' ' ' THR . 8.5 t 177.42 81.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 5.2 111.103 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.435 ' HB3' ' HB2' ' A' ' 82' ' ' PHE . 8.7 p30 -52.53 172.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 4.11 110.889 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.541 ' HB2' ' CB ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -70.82 0.74 6.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.54 110.877 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.483 ' HA ' ' HE2' ' A' ' 84' ' ' MET . 50.6 ttp -38.93 -29.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 5.04 110.872 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 112' ' ' PHE . . . -62.51 -71.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 5.03 111.04 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -68.71 -28.65 67.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.53 110.892 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 120' ' ' THR . 0.8 OUTLIER -72.96 -32.94 65.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.51 110.943 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -47.32 -53.69 12.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.138 -0.483 . . . . 4.11 110.9 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -51.63 9.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.43 110.853 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -56.12 -57.99 9.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.998 0.428 . . . . 0.53 110.891 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 116' ' ' LYS . 35.1 m -52.58 -47.45 66.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.52 111.135 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -45.71 -40.9 9.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.54 110.84 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -76.41 -57.38 3.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.42 110.897 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.463 ' CZ ' HD11 ' A' ' 67' ' ' LEU . 8.2 mtp180 -54.27 -57.96 9.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.44 110.845 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.501 ' HB1' ' HG2' ' A' ' 129' ' ' ARG . . . -52.68 -63.45 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.42 111.169 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.401 ' HA ' ' HG3' ' A' ' 129' ' ' ARG . 0.2 OUTLIER -53.37 -24.49 12.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.55 110.874 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.58 -50.46 13.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.54 110.884 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -69.19 -13.65 62.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.53 110.959 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 95.52 39.85 4.33 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.712 -0.756 . . . . 0.34 112.428 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.501 ' HG2' ' HB1' ' A' ' 124' ' ' ALA . 0.1 OUTLIER -49.55 -26.07 3.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 4.12 110.864 -179.835 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 5.35 112.491 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.434 -0.266 . . . . 0.52 112.434 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -110.73 111.95 23.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.863 0.363 . . . . 0.44 110.806 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -157.86 25.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.43 110.86 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -136.29 149.45 48.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.45 110.845 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -94.19 40.9 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.55 110.802 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 51.89 54.41 10.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.55 110.956 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -141.71 -169.29 2.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.43 110.888 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.93 -168.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.51 110.896 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 64.89 157.24 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.45 110.901 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.1 t0 63.88 23.5 13.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.44 110.845 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -164.91 -40.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.54 111.069 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.84 84.12 1.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.51 110.879 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.16 -32.0 66.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.31 111.088 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -47.74 -56.49 7.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.41 110.901 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -50.89 -46.5 60.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.53 110.864 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.51 -37.61 87.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.51 110.912 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.404 HG21 ' SD ' ' A' ' 39' ' ' MET . 25.3 mm -60.97 -55.94 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.44 111.136 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.1 m -61.07 -38.65 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.51 111.115 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.3 mm -56.65 -56.52 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.44 111.12 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.95 -49.79 74.56 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.772 -0.728 . . . . 0.4 112.579 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.701 ' O ' HG23 ' A' ' 25' ' ' ILE . 20.3 m120 -63.22 -27.49 69.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 0.52 110.876 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.584 ' O ' HG13 ' A' ' 25' ' ' ILE . 1.6 mm -65.0 -43.82 96.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.54 111.134 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -68.31 -28.81 67.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.54 110.878 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.38 -49.44 9.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 5.43 110.858 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.091 HD13 ' HB3' ' A' ' 86' ' ' ALA . 2.9 pp -50.87 -24.96 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.51 111.151 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.622 ' N ' HD12 ' A' ' 25' ' ' ILE . 8.4 mt -48.54 -18.24 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.54 111.079 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.8 mtt -85.27 -32.11 22.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 5.31 110.868 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -149.35 140.94 23.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 5.53 110.838 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.774 ' HA ' ' HB2' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -79.11 -54.66 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.32 110.827 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.23 -50.66 8.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 5.34 110.829 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -49.03 -36.01 16.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 4.35 110.847 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.588 HE21 ' N ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -68.03 -38.65 82.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.51 110.929 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.588 ' N ' HE21 ' A' ' 32' ' ' GLN . 2.2 t60 -55.1 -43.62 74.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 5.2 110.86 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 mp -70.15 -56.75 6.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.246 -0.434 . . . . 74.54 110.951 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -56.67 -55.91 28.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.45 110.89 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 -51.02 -52.98 37.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 5.23 110.914 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.4 t -51.75 -38.27 54.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 5.44 110.874 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -62.52 -54.05 45.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 4.33 110.891 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.404 ' SD ' HG21 ' A' ' 17' ' ' ILE . 10.1 tpt -66.46 -30.99 71.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 5.14 110.895 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -62.11 -55.68 26.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 5.31 110.887 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -45.03 89.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 5.51 110.871 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -58.92 -41.36 87.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 5.33 110.919 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -74.0 -52.24 13.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 5.35 110.931 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -54.77 -30.1 55.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.509 . . . . 5.34 110.911 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.34 -17.27 58.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 5.4 110.876 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -119.28 -77.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 4.22 110.919 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -142.68 -172.8 3.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 5.32 110.895 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -122.46 -169.82 1.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 5.35 110.862 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.2 m -80.18 -163.43 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.44 110.858 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 65.06 19.86 11.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.12 -0.491 . . . . 0.45 110.917 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -142.58 136.02 28.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 4.21 110.901 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -174.38 -75.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.53 110.847 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.33 -165.31 2.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.51 110.859 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.33 -50.38 11.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.227 -0.442 . . . . 0.52 110.929 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 p -93.26 -27.27 16.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.42 110.849 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -71.37 -39.03 71.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.54 110.915 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.534 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 1.1 m -51.3 -57.56 13.68 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.587 0.708 . . . . 0.45 111.151 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 57' ' ' THR . 53.6 Cg_endo -69.78 -52.72 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.734 2.29 . . . . 0.45 112.288 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.1 mt -52.53 -39.22 28.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.55 111.174 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -71.57 -52.13 19.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.44 110.848 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -53.85 -53.84 46.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.41 110.896 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -57.08 -55.85 29.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.54 110.887 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.429 ' HA ' HD12 ' A' ' 66' ' ' ILE . 3.3 m-85 -51.23 -51.47 53.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.43 110.814 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.1 mm -62.65 -33.55 60.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.34 111.108 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -37.92 85.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.53 110.847 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 63' ' ' TYR . 5.6 mt -70.28 -52.46 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.55 111.111 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.527 HD23 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -57.88 -46.89 84.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.45 110.928 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.527 ' N ' HD23 ' A' ' 67' ' ' LEU . 15.6 pt-20 -67.44 -33.19 74.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.45 110.886 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.06 -55.75 30.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.54 110.851 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -63.77 -52.31 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.52 110.82 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.679 HD13 ' CZ ' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -54.35 -40.96 68.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.446 . . . . 0.53 110.904 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.594 ' CB ' HD21 ' A' ' 91' ' ' LEU . 20.9 tt0 -64.95 -46.53 81.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.43 110.86 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -58.66 -33.98 70.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.42 110.907 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -80.5 -50.08 10.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.45 110.902 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.768 HD13 ' HB ' ' A' ' 88' ' ' THR . 1.3 mt -63.65 -26.36 68.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.43 110.919 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.5 p -87.11 -35.32 8.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.41 111.107 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -88.83 2.63 53.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.52 110.833 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -96.12 -47.09 6.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.54 110.901 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 78' ' ' ARG . 0.8 OUTLIER 34.78 62.13 2.15 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.678 0.752 . . . . 0.44 111.103 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.56 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 53.8 Cg_endo -69.79 -34.06 15.25 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.73 2.287 . . . . 0.45 112.334 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.459 ' CA ' ' HB3' ' A' ' 103' ' ' LEU . . . 89.43 -24.16 15.54 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.775 -0.726 . . . . 4.32 112.522 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.774 ' CZ ' HG23 ' A' ' 110' ' ' THR . 0.0 OUTLIER -94.42 153.86 17.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 5.3 110.827 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -46.1 73.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.492 . . . . 5.13 110.882 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.758 ' N ' ' O ' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -83.28 -169.43 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.45 110.844 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -50.37 121.29 5.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.52 110.82 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 1.091 ' HB3' HD13 ' A' ' 25' ' ' ILE . . . -68.6 -8.55 42.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.22 111.094 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.679 ' CZ ' HD13 ' A' ' 71' ' ' LEU . 59.1 t80 -46.16 -29.02 1.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.45 110.926 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.768 ' HB ' HD13 ' A' ' 75' ' ' LEU . 2.9 t -58.13 -46.29 85.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.44 111.223 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.405 ' N ' HG23 ' A' ' 88' ' ' THR . 20.4 t-80 -59.93 -56.61 19.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.54 110.851 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.433 ' HB3' HD11 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -71.12 -10.95 60.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.5 110.888 -179.832 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.594 HD21 ' CB ' ' A' ' 72' ' ' GLU . 3.9 tp -75.52 -61.55 1.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.54 110.875 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -84.82 -87.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.5 110.899 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -135.56 -77.14 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 5.14 110.927 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -164.22 89.61 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 5.45 110.862 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.49 6.45 10.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.256 -0.429 . . . . 0.54 110.92 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -45.98 -44.25 14.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 3.41 110.915 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 98' ' ' VAL . 3.7 mt-10 -45.73 -30.48 1.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 5.42 110.875 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.517 ' O ' HG12 ' A' ' 98' ' ' VAL . 13.9 t -154.99 95.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 0.45 111.117 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.6 t -115.44 -177.84 3.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.43 110.817 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 104' ' ' ASP . . . -50.86 -18.42 2.77 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.717 -0.754 . . . . 4.14 112.426 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.86 -63.25 1.02 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.791 0.329 . . . . 4.41 110.901 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.64 HG23 ' H ' ' A' ' 103' ' ' LEU . 2.4 tt -63.73 -58.83 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 4.53 111.15 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.64 ' H ' HG23 ' A' ' 102' ' ' ILE . 4.3 mm? -52.96 -28.1 22.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 4.22 110.897 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' A' ' 100' ' ' GLY . 6.2 t70 -65.51 -41.81 92.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 4.44 110.909 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -37.75 67.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 5.1 110.85 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -88.79 -56.47 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 5.04 110.945 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 109' ' ' PHE . 0.2 OUTLIER -73.27 5.0 3.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 5.42 110.927 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 104' ' ' ASP . 0.4 OUTLIER -40.63 -21.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 4.43 111.137 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 107' ' ' LEU . 19.1 t80 -43.84 -29.57 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 5.44 110.909 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.774 HG23 ' CZ ' ' A' ' 82' ' ' PHE . 1.1 t -151.86 77.44 1.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 3.42 111.142 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.546 ' O ' ' O ' ' A' ' 110' ' ' THR . 13.7 p-10 -43.42 178.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 5.03 110.877 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.522 ' N ' ' HB2' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -56.07 -9.95 0.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 5.32 110.853 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.12 -38.52 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 4.4 110.814 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.439 ' O ' ' HB3' ' A' ' 117' ' ' GLU . . . -79.55 -57.24 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 5.32 111.179 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.403 ' O ' ' HB2' ' A' ' 119' ' ' PHE . 22.8 t80 -57.39 -57.27 13.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.53 110.926 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 120' ' ' THR . 0.0 OUTLIER -56.72 -40.15 75.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 4.42 110.888 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.439 ' HB3' ' O ' ' A' ' 114' ' ' ALA . 5.8 tp10 -45.44 -59.07 2.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 5.02 110.854 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.82 -53.5 6.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.34 110.874 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.652 ' CZ ' HD23 ' A' ' 71' ' ' LEU . 1.4 t80 -53.22 -61.7 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.55 110.898 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.568 HG23 HG21 ' A' ' 26' ' ' ILE . 3.9 m -55.31 -44.24 75.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.44 111.08 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -48.06 -48.51 33.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.44 110.916 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.07 -56.35 4.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.44 110.905 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.536 ' HD2' HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -50.33 -54.52 20.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.51 110.874 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.647 ' HB1' ' CG ' ' A' ' 129' ' ' ARG . . . -61.11 -64.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.55 111.102 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -48.26 -27.15 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.33 110.851 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.48 -49.49 66.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.187 -0.46 . . . . 0.44 110.898 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.22 -10.29 56.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.41 110.841 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.668 ' O ' ' C ' ' A' ' 129' ' ' ARG . . . 81.97 39.79 11.26 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.776 -0.725 . . . . 0.35 112.483 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.668 ' C ' ' O ' ' A' ' 128' ' ' GLY . 0.0 OUTLIER -6.26 -80.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.327 . . . . 0.52 110.911 -179.845 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.723 . . . . 0.42 112.497 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.465 -0.254 . . . . 1.15 112.465 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -160.75 -177.96 6.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 3.11 110.852 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 59.24 83.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 2.5 110.833 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -141.15 25.17 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 4.13 110.883 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 69.17 -75.86 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 4.34 110.871 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 63.2 179.23 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.42 110.868 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.638 ' C ' HD13 ' A' ' 8' ' ' LEU . 0.1 OUTLIER 61.88 -176.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.45 110.845 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.638 HD13 ' C ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -150.78 18.25 0.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.54 110.934 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 42.29 -162.15 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.182 -0.463 . . . . 5.52 110.821 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 48.12 31.94 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.508 . . . . 2.04 110.878 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -154.79 -74.0 0.12 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.52 111.064 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -168.13 29.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.5 110.868 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.21 -48.13 45.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.53 111.127 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.36 -59.99 3.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.51 110.891 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -53.75 -39.06 65.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.51 110.903 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.1 -35.33 80.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.54 110.952 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.7 mm -63.07 -61.52 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.486 . . . . 0.55 111.122 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.727 HG13 ' HG2' ' A' ' 40' ' ' GLU . 1.1 m -59.55 -37.67 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.45 111.121 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.523 ' O ' HG22 ' A' ' 22' ' ' ILE . 4.4 mm -56.92 -58.89 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.5 111.123 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.86 -42.42 53.31 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.43 112.526 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.953 ' O ' HG23 ' A' ' 25' ' ' ILE . 3.2 m120 -58.42 -40.16 81.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.367 . . . . 0.5 110.912 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.667 HD12 ' HB3' ' A' ' 86' ' ' ALA . 2.5 tp -50.39 -40.11 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.55 111.142 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.907 ' O ' HD12 ' A' ' 26' ' ' ILE . 2.7 pt-20 -67.11 -26.39 66.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.52 110.821 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.539 ' O ' HD13 ' A' ' 26' ' ' ILE . 0.6 OUTLIER -92.1 -27.26 17.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.199 -0.455 . . . . 4.34 110.85 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.953 HG23 ' O ' ' A' ' 21' ' ' ASN . 1.2 pp -69.05 -20.19 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 1.01 111.152 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.907 HD12 ' O ' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -37.96 -28.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 3.13 111.155 179.876 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 25' ' ' ILE . 2.8 mtt -91.17 -36.13 14.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 5.43 110.865 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -174.68 114.96 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 4.41 110.831 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.637 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . 0.3 OUTLIER -87.64 -26.67 22.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 4.14 110.817 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -45.57 -55.78 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 5.3 110.885 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.405 ' O ' ' HB3' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -85.59 -56.79 3.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 72.53 110.863 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -48.23 -55.18 11.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 5.25 110.88 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.832 ' CG ' ' HB1' ' A' ' 86' ' ' ALA . 4.8 t60 -68.04 -38.79 82.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.54 110.863 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.434 ' CB ' ' O ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER -43.01 -55.97 3.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 23.21 110.872 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -77.02 -54.42 6.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 61.34 110.897 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -52.14 -63.57 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.54 110.891 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 33' ' ' HIS . 1.0 OUTLIER -54.5 -41.46 69.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.54 110.878 -179.792 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -49.66 -54.72 16.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 5.02 110.862 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 84.2 mtp -60.88 -51.44 69.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 4.52 110.888 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.727 ' HG2' HG13 ' A' ' 18' ' ' VAL . 5.1 tp10 -56.27 -34.38 66.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 4.24 110.929 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.413 ' HA ' ' HB2' ' A' ' 45' ' ' GLU . 13.6 mttt -67.93 -65.49 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 4.24 110.841 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -56.53 -16.78 6.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 4.31 110.908 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -78.51 -61.99 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 5.43 110.885 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.406 HD13 ' HB3' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -103.61 -48.14 4.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 2.42 110.942 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 41' ' ' LYS . 2.9 tm-20 -53.73 -23.42 11.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 4.32 110.877 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -65.81 -81.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 5.34 110.911 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -145.44 95.2 2.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 4.42 110.899 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.406 ' HB3' HD13 ' A' ' 44' ' ' LEU . 0.4 OUTLIER 179.38 -167.7 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 3.43 110.844 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.67 -170.37 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 3.34 110.844 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -48.08 -71.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.504 . . . . 0.43 110.887 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 47.77 86.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 3.25 110.894 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -148.89 -169.87 3.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.55 110.845 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -56.44 -179.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.45 110.927 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.02 -38.28 90.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.54 110.935 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.47 -29.19 15.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.54 110.892 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -71.79 -38.75 70.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.52 110.909 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.542 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 1.1 m -51.08 -57.6 13.28 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.59 0.71 . . . . 0.53 111.157 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 57' ' ' THR . 53.3 Cg_endo -69.81 -51.13 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.669 2.246 . . . . 0.55 112.281 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 22.8 mm -53.86 -35.28 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.53 111.134 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -74.06 -52.09 13.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.54 110.902 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.55 -48.1 80.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.43 110.813 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -62.14 -49.2 76.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.5 110.852 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.458 ' HA ' HD12 ' A' ' 66' ' ' ILE . 2.4 m-85 -52.65 -66.16 0.43 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.52 110.953 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.2 mm -50.78 -43.09 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.51 . . . . 0.43 111.127 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -62.14 -40.43 95.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.51 110.838 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 63' ' ' TYR . 11.6 mt -61.03 -57.27 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.43 111.17 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.6 HD21 ' CE1' ' A' ' 87' ' ' PHE . 2.1 tt -63.71 -36.46 83.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.44 110.912 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -56.47 -56.8 16.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.51 110.879 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -46.93 73.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.43 110.872 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -53.79 -53.32 53.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.264 -0.425 . . . . 0.5 110.861 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.567 HD13 ' CG ' ' A' ' 87' ' ' PHE . 19.6 mt -71.54 -29.0 64.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.51 110.887 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -56.34 -54.69 42.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.52 110.865 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.598 ' HA ' HG12 ' A' ' 76' ' ' VAL . 4.5 tp60 -75.62 -38.01 59.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.43 110.887 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.83 -46.6 88.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.33 110.906 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.667 HD23 ' N ' ' A' ' 88' ' ' THR . 0.5 OUTLIER -76.41 -60.02 2.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.51 110.815 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.598 HG12 ' HA ' ' A' ' 73' ' ' GLN . 2.4 p -48.01 -27.58 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.42 111.089 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.38 -37.53 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.53 110.898 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 79' ' ' ILE . 10.9 mmt-85 -128.12 -27.63 2.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.53 110.943 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.431 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.5 OUTLIER 36.37 55.01 2.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.629 0.728 . . . . 0.52 111.167 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.603 ' HG2' ' HE3' ' A' ' 84' ' ' MET . 53.7 Cg_endo -69.71 110.12 2.47 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.732 2.288 . . . . 0.33 112.352 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.536 ' HA3' ' HA ' ' A' ' 103' ' ' LEU . . . -29.97 -45.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.703 -0.76 . . . . 0.4 112.486 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.537 ' HB3' ' HB3' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -51.73 152.87 2.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 5.23 110.846 -179.865 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.422 ' H ' ' ND2' ' A' ' 83' ' ' ASN . 2.2 p30 -65.12 74.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 5.22 110.924 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.603 ' HE3' ' HG2' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -88.6 -12.9 41.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.52 110.936 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.453 ' N ' ' SD ' ' A' ' 84' ' ' MET . 0.5 OUTLIER 167.35 113.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.55 110.886 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.832 ' HB1' ' CG ' ' A' ' 33' ' ' HIS . . . -56.36 -21.26 23.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.5 111.116 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.6 ' CE1' HD21 ' A' ' 67' ' ' LEU . 4.6 m-85 -55.89 -52.72 63.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.42 110.866 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.667 ' N ' HD23 ' A' ' 75' ' ' LEU . 1.5 t -57.9 -29.81 65.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.53 111.089 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.486 ' HB2' ' O ' ' A' ' 86' ' ' ALA . 0.3 OUTLIER -64.26 -62.36 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.53 110.903 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.0 t -74.42 -18.8 60.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.5 110.813 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.449 ' CB ' ' O ' ' A' ' 87' ' ' PHE . 5.9 tp -79.1 -58.33 3.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.45 110.912 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.81 -84.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.53 110.913 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -132.66 -78.01 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 5.41 110.927 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -159.32 23.59 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 5.4 110.777 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.0 -15.72 2.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.44 110.863 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.443 ' CA ' ' HB3' ' A' ' 89' ' ' HIS . 4.2 p30 -49.65 -27.24 4.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 3.11 110.916 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.414 ' O ' ' HB ' ' A' ' 98' ' ' VAL . 0.3 OUTLIER -55.34 -55.28 33.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 4.52 110.888 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.414 ' HB ' ' O ' ' A' ' 97' ' ' GLU . 9.8 p 178.82 140.93 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 45.21 111.121 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.548 ' OG ' HG23 ' A' ' 102' ' ' ILE . 2.0 t -107.65 86.83 2.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 5.4 110.894 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -94.45 -68.18 1.04 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 3.15 112.394 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -64.88 -48.62 73.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 33.12 110.845 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.548 HG23 ' OG ' ' A' ' 99' ' ' SER . 2.2 tp -59.96 -37.01 70.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 3.4 111.127 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.805 HD13 ' N ' ' A' ' 104' ' ' ASP . 0.2 OUTLIER -57.09 -58.11 9.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 4.12 110.867 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.805 ' N ' HD13 ' A' ' 103' ' ' LEU . 0.3 OUTLIER -70.58 -37.08 73.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 5.24 110.805 179.859 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.574 ' O ' HG22 ' A' ' 108' ' ' THR . 6.0 mtt -59.0 -46.68 87.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 5.03 110.837 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.457 ' HB2' ' H ' ' A' ' 81' ' ' GLY . 4.3 mm? -84.26 -48.85 9.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 5.25 110.869 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.635 HD13 ' C ' ' A' ' 107' ' ' LEU . 1.8 tm? -45.24 -35.17 3.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 5.52 110.925 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 105' ' ' MET . 11.8 t -43.5 -43.25 5.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 5.11 111.132 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.466 ' N ' HG23 ' A' ' 108' ' ' THR . 0.3 OUTLIER -130.91 -54.04 1.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 4.34 110.885 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.584 ' O ' HG22 ' A' ' 110' ' ' THR . 1.3 m -96.16 99.94 11.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 4.43 111.146 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.464 ' HB3' HD22 ' A' ' 107' ' ' LEU . 53.0 p-10 -109.57 156.58 19.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 5.51 110.892 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.537 ' HB3' ' HB3' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -57.24 -17.46 11.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 5.43 110.913 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 9.6 ttt -38.38 -50.02 1.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 5.13 110.892 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.436 ' O ' ' HB3' ' A' ' 117' ' ' GLU . . . -78.52 -55.0 5.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 1.22 111.081 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -63.63 1.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.42 110.904 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -50.13 -40.26 45.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 4.41 110.916 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.436 ' HB3' ' O ' ' A' ' 114' ' ' ALA . 7.7 tp10 -46.69 -59.87 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 4.4 110.856 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -79.73 -52.33 8.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.54 110.877 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -52.33 -61.53 2.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.45 110.89 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.452 ' CB ' ' O ' ' A' ' 116' ' ' LYS . 4.3 m -55.62 -44.99 77.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.54 111.107 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -51.78 -42.14 62.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.52 110.848 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -79.43 -57.05 3.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.45 110.906 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -45.05 56.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.53 110.909 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.603 ' HB1' ' CG ' ' A' ' 129' ' ' ARG . . . -69.4 -63.95 0.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.53 111.071 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.406 ' HA ' ' HB2' ' A' ' 129' ' ' ARG . 0.7 OUTLIER -48.8 -24.87 1.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.45 110.882 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.5 ttmm -67.79 -49.91 59.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.154 -0.475 . . . . 0.54 110.843 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -72.59 -14.22 61.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.34 110.881 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 112.3 40.59 1.13 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.667 -0.778 . . . . 0.5 112.489 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.603 ' CG ' ' HB1' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -38.36 -60.5 0.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.822 0.344 . . . . 3.34 110.863 -179.808 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 0.44 112.555 179.983 . . . . . . . . 0 0 . 1 stop_ save_